SCHEMBL4012969

SCHEMBL4012969

Cc1ccc(C(=O)O)cc1NN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 3/20 0.62
AKR1C3 P42330 1/20 0.53
CASR P41180 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SELL P14151 2/20 0.50
SELP P16109 2/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 1/20 0.48
SELE P16581 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
GRM1 Q13255 2/20 0.46
CYP1A2 P05177 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1416836 0.98 ALDH1A1 (0.61) ALDH1A1MAPTAKR1C3CASRL3MBTL1
SCHEMBL11783613 0.85 MAPT (0.47) ALDH1A1MAPTAKR1C3CASRL3MBTL1
SCHEMBL6235537 0.85 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL9308545 0.85 PRKCI (0.49) ALDH1A1MAPTAKR1C3CASRNPC1
Hydrochloric Acid SCHEMBL28054067 0.83 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL7772145 0.82 AKR1C3 (0.54) ALDH1A1MAPTAKR1C3CASRL3MBTL1
SCHEMBL1002161 0.82 MAPT (0.69) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL11965655 0.81 PLAU (0.47) ALDH1A1MAPTTSHR
SCHEMBL26292488 0.81 AKR1C3 (0.53) ALDH1A1MAPTAKR1C3CASRL3MBTL1
Hydrochloric Acid SCHEMBL6231788 0.80 CYP2C9 (0.55) ALDH1A1MAPTL3MBTL1KDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US disclosed
CN-112839928-B Synthetic method for preparing 3- [ 5-amino-4- (3-cyanobenzoyl) -pyrazole compound 梅里奥生物制药1有限公司 2024-04-30 CN disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound MEREO BIOPHARMA 1 LIMITED (GB) 2023-05-16 US disclosed
US-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound MEREO BIOPHARMA 1 LIMITED (GB) 2023-05-16 US disclosed
US-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound MEREO BIOPHARMA 1 LIMITED (GB) 2023-05-16 US disclosed
EP-3856721-B1 SYNTHETIC METHOD FOR THE PREPARATION OF A 3-[5-AMINO-4-(3-CYANOBENZOYL)-PYRAZOL COMPOUND MEREO BIOPHARMA 1 LTD (GB) 2023-03-29 EP disclosed
EP-3856721-B1 SYNTHETIC METHOD FOR THE PREPARATION OF A 3-[5-AMINO-4-(3-CYANOBENZOYL)-PYRAZOL COMPOUND MEREO BIOPHARMA 1 LTD (GB) 2023-03-29 EP disclosed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B ALDH1A1 974/4885MAPT 2580/4885AKR1C3 2135/4885
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 ALDH1A1 1738/4885MAPT 4663/4885AKR1C3 2052/4885
US-11649213-B2 Synthetic method for the preparation of a 3-[5-amino-4-(3-cyanobenzoyl)-pyrazol compound SLC1A5, BCAT2, CYP3A5 ALDH1A1 2990/4885MAPT 3799/4885AKR1C3 511/4885
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A ALDH1A1 278/4885MAPT 3851/4885AKR1C3 687/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 ALDH1A1 1738/4885MAPT 4663/4885AKR1C3 2052/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A ALDH1A1 278/4885MAPT 3851/4885AKR1C3 687/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 ALDH1A1 1717/4885MAPT 4662/4885AKR1C3 2010/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 ALDH1A1 2217/4885MAPT 1544/4885AKR1C3 1589/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.