SCHEMBL1104785

SCHEMBL1104785

CC(C)c1ccc(=O)[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TYR P14679 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
RORC P51449 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KAT2B Q92831 1/20 0.38
MGLL Q99685 1/20 0.38
RNASEH1 O60930 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
MCL1 Q07820 1/20 0.36
HTT P42858 1/20 0.35
OGA O60502 1/20 0.35
PIM1 P11309 1/20 0.35
NOTUM Q6P988 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL28018148 0.84 ALDH1A1 (0.48) ALDH1A1TYRSMN1; SMN2GAARORC
SCHEMBL14196930 0.83 NOTUM (0.42) ALDH1A1TYRRORCMEN1KMT2A
SCHEMBL3057963 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAARORCMEN1
SCHEMBL31564825 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAARORCMEN1
SCHEMBL9333908 0.82 ALDH1A1 (0.41) ALDH1A1TYRSMN1; SMN2GAAPOLB
Hydrochloric Acid SCHEMBL31564780 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAARORCMEN1
SCHEMBL21459690 0.79 ALDH1A1 (0.39) ALDH1A1TYRSMN1; SMN2GAAPOLB
SCHEMBL312951 0.77 DAO (0.42) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL19402479 0.76 KAT2B (0.50) ALDH1A1SMN1; SMN2GAARORCKAT2B
SCHEMBL3175909 0.74 MEN1 (0.46) ALDH1A1SMN1; SMN2GAARORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024059249-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-03-21 WO disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-20070265299-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-11-15 US disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
WO-2007064797-A2 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-07 WO disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 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 (11 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885TYR 231/4885SMN1; SMN2 1145/4885
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A ALDH1A1 558/4885TYR 2384/4885SMN1; SMN2 3859/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ALDH1A1 3184/4885TYR 1314/4885SMN1; SMN2 4298/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 ALDH1A1 3412/4885TYR 1118/4885SMN1; SMN2 1813/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 ALDH1A1 289/4885TYR 470/4885SMN1; SMN2 4815/4885
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists NPSR1, PROKR2, KISS1R ALDH1A1 700/4885TYR 4585/4885SMN1; SMN2 493/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ALDH1A1 192/4885TYR 1087/4885SMN1; SMN2 3487/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB ALDH1A1 2268/4885TYR 2305/4885SMN1; SMN2 1733/4885
US-20070265299-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1372/4885TYR 2124/4885SMN1; SMN2 1262/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 ALDH1A1 477/4885TYR 4464/4885SMN1; SMN2 2061/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885TYR 981/4885SMN1; SMN2 3935/4885

“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.