SCHEMBL5034729

SCHEMBL5034729

COC(=O)c1cc(-c2ccccc2)cc(N)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 3/20 0.53
CFTR P13569 1/20 0.53
HPGD P15428 5/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GRM6 O15303 1/20 0.48
GRM5 P41594 1/20 0.48
KDM4E B2RXH2 6/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NR4A2 P43354 2/20 0.46
ATM Q13315 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
IKBKB O14920 1/20 0.45
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL29858970 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL23645723 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL23645519 0.84 ALDH1A1 (0.49) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL27846422 0.83 KMT2A (0.59) ALDH1A1HSD17B10HPGDMAPTGAA
Hydrochloric Acid SCHEMBL27544982 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL28901175 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL6811268 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL31750061 0.81 IKBKB (0.46) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL1317476 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRHPGDMAPT
SCHEMBL421466 0.81 IKBKB (0.65) ALDH1A1HSD17B10CFTRHPGDMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
US-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
US-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
WO-2007102883-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 (1 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-20080262040-A1 novel indazole carboxamide derivatives for inflammatory and tissue repair disorders like rheumatoid arthritis, asthma, and COPD; kinase inhibitors in particular IKK2; 1,1-dimethylethyl-4-[4-(aminocarbonyl)-6-phenyl-1H-indazol-1-yl]-1-piperidinecarboxylate; intermediates IRAK2, NFKBIA, IRAK1 ALDH1A1 1389/4885HSD17B10 3820/4885CFTR 725/4885

“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.