SCHEMBL3098810

SCHEMBL3098810

CCSc1cc(C)c2ccc(OC)cc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ TSHR P16473 1/20 0.71
▸ HBB P68871 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ ALDH1A1 P00352 10/20 0.62
▸ MAPT P10636 8/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ POLB P06746 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ PRNP P04156 1/20 0.62
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL3111650 0.88 POLB (0.71) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL12803452 0.81 GAA (0.50) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL3099980 0.79 TSHR (0.46) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL24009010 0.76 POLB (0.58) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL13543478 0.75 L3MBTL1 (0.51) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL5433758 0.73 KDM4E (0.56) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL5427929 0.73 KDM4E (0.52) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL8301655 0.73 BACE1 (0.56) L3MBTL1TSHRHBBHSD17B10ALDH1A1
SCHEMBL12804121 0.72 GAA (0.65) TSHRALDH1A1MAPTKDM4EPOLB
SCHEMBL3105741 0.70 GAA (0.48) TSHRALDH1A1MAPTKDM4EPOLB

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 L3MBTL1 4153/4885TSHR 3819/4885HBB 4356/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 L3MBTL1 4153/4885TSHR 3819/4885HBB 4356/4885

“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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