SCHEMBL537020

SCHEMBL537020

COc1c(N2CC(O)C2)c(F)cc2c(=O)c3c(O)c(C#N)sc3n(C3CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2872776 0.94 KCNH2 (0.43) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2676038 0.94 KCNH2 (0.43) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2880218 0.91 KDM4E (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2676884 0.91 KDM4E (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL537076 0.90 KCNH2 (0.39) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2878364 0.89 TOP1 (0.45) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2677104 0.89 TOP1 (0.45) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2674468 0.89 KCNH2 (0.43) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL537467 0.89 KCNH2 (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2675665 0.88 KCNH2 (0.42) KDM4EHPGDKCNH2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP claimed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US claimed
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP claimed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US claimed
WO-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO claimed
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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 (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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 KDM4E 2296/4885HPGD 1001/4885KCNH2 2021/4885

“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.