SCHEMBL1034235

SCHEMBL1034235

Cc1ccc(CNC(=O)c2ccccc2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ KDM4E B2RXH2 4/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ MT-CO2 P00403 1/20 0.56

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
SCHEMBL1032002 0.90 MAPK1 (0.77) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL15686618 0.87 KMT2A (0.70) HPGDALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL30498656 0.87 HPGD (0.64) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL19358930 0.87 CA12 (0.62) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL7823453 0.85 APEX1 (0.84) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL17339617 0.84 MAPK1 (0.65) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL4569297 0.84 HPGD (0.69) HPGDALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL13161957 0.84 MAPK1 (1.00) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL15686093 0.84 HPGD (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL15686111 0.84 ALDH1A1 (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 — — US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 — — US disclosed
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 — — EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 — — US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 — — US disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 — — 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 (4 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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 HPGD 922/4885ALDH1A1 1037/4885KDM4E 3950/4885
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS CMA1, TPP1, TPSAB1 HPGD 2745/4885ALDH1A1 1586/4885KDM4E 4498/4885
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 HPGD 344/4885ALDH1A1 601/4885KDM4E 3727/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 HPGD 391/4885ALDH1A1 415/4885KDM4E 4119/4885

“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.

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