SCHEMBL537000

SCHEMBL537000

COc1c(N2CCC[C@H](N)C2)c(F)cc2c(=O)c3c(O)c(C#N)sc3n(C3CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
TOP1 P11387 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
OPRM1 P35372 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PIM3 Q86V86 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL2677104 0.95 TOP1 (0.45) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL2878364 0.95 TOP1 (0.45) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL537467 0.90 KCNH2 (0.41) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL537612 0.90 KCNH2 (0.51) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL2675978 0.90 KCNH2 (0.41) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL2872776 0.89 KCNH2 (0.43) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL2676038 0.89 KCNH2 (0.43) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL537020 0.88 KDM4E (0.40) KCNH2ALDH1A1KDM4EHPGDPOLB
SCHEMBL2675665 0.88 KCNH2 (0.42) KCNH2TOP1ALDH1A1KDM4EHPGD
SCHEMBL2675223 0.87 KCNH2 (0.56) KCNH2TOP1

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 9 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
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP 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

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 KCNH2 2021/4885TOP1 264/4885ALDH1A1 2624/4885

“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.