SCHEMBL3111650

SCHEMBL3111650

CCSc1cc(C)c2cc(OC)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.71
▸ KDM4E B2RXH2 7/20 0.68
▸ MAPT P10636 6/20 0.68
▸ ALDH1A1 P00352 10/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ CYP1A2 P05177 3/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HBB P68871 1/20 0.56
▸ HPGD P15428 7/20 0.50
▸ PRNP P04156 1/20 0.50
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2E1 P05181 1/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49

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
SCHEMBL3098810 0.88 L3MBTL1 (0.71) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL12804121 0.81 GAA (0.65) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL3105741 0.79 GAA (0.48) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL8103092 0.76 POLB (0.66) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL7521559 0.74 POLB (0.64) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL9849499 0.73 POLB (0.62) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL2531203 0.73 POLB (0.62) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL11049820 0.73 POLB (0.62) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL12803452 0.72 GAA (0.50) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL28026104 0.71 POLB (0.59) POLBKDM4EMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 — — US disclosed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 — — US disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 — — 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 (2 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-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNJ2 POLB 4662/4885KDM4E 367/4885MAPT 4434/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 POLB 4662/4885KDM4E 367/4885MAPT 4434/4885

“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.

Send feedback