SCHEMBL631776

SCHEMBL631776

COc1cccc(NC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.64
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.53
MTNR1B P49286 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
MTNR1A P48039 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
THRB P10828 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NLRP3 Q96P20 1/20 0.47
LMNA P02545 1/20 0.47

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 SCHEMBL2249099 0.98 KCNH3 (0.67) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL28885886 0.85 KCNH3 (0.53) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL10989610 0.85 KCNH3 (0.53) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL11420472 0.82 TDP1 (0.48) KCNH3KMT2AMEN1TSHRALDH1A1
SCHEMBL21790727 0.82 ALDH1A1 (0.52) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL7948381 0.81 TDP1 (0.57) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL10388714 0.80 ALDH1A1 (0.68) KCNH3KMT2AMEN1MAPTPOLB
SCHEMBL22874617 0.80 MTNR1B (0.63) KCNH3POLBMTNR1BALDH1A1MTNR1A
SCHEMBL17604272 0.80 MAPT (0.49) KCNH3KMT2AMEN1MAPTMAPK1
SCHEMBL10994539 0.80 KCNH3 (0.49) KCNH3KMT2AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 WO disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
WO-2022164997-A1 METHODS FOR THE TREATMENT OF FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2022-08-04 WO disclosed
WO-2021257828-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2021-12-23 WO disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
US-20190330142-A1 INHIBITORS OF MTOR-DEPTOR INTERACTIONS AND METHODS OF USE THEREOF THE UNITED STATES GOVERNMENT REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-10-31 US disclosed
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
US-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-20060160817-A1 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 WO disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO 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 (5 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 KCNH3 2450/4885KMT2A 3487/4885MEN1 4602/4885
US-20060160817-A1 Ion channel modulators and methods of use CACNA1G, CACNA1C, CACNA1B KCNH3 25/4885KMT2A 2713/4885MEN1 3117/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS KCNH3 4518/4885KMT2A 3255/4885MEN1 2741/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 KCNH3 1792/4885KMT2A 1500/4885MEN1 4348/4885
US-20190330142-A1 INHIBITORS OF MTOR-DEPTOR INTERACTIONS AND METHODS OF USE THEREOF DEPTOR, RICTOR, RPTOR KCNH3 4725/4885KMT2A 1661/4885MEN1 1433/4885

“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.