SCHEMBL1721477

SCHEMBL1721477

O=C(NCc1cccs1)c1cc2cc(C(F)(F)F)ccc2nc1SCCS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CPT1A P50416 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL1721238 0.94 ALDH1A1 (0.58) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1722133 0.90 LMNA (0.56) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1723288 0.88 ALDH1A1 (0.52) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3644730 0.86 ALDH1A1 (0.57) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1721664 0.85 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3650656 0.85 ALDH1A1 (0.66) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1721481 0.84 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1723228 0.84 ALDH1A1 (0.49) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1720927 0.83 ALDH1A1 (0.49) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1721371 0.83 ALDH1A1 (0.49) KMT2AALDH1A1LMNAMAPK1SMN1; 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 17 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 claimed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 — — US claimed
EP-2406229-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 — — EP claimed
WO-2010102811-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO claimed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 — — US claimed
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 — — US disclosed
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 — — US disclosed
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-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 — — US disclosed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 — — US disclosed
EP-2406229-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 — — EP disclosed
WO-2010102811-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO disclosed
WO-2010102811-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 — — US disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 — — 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 KMT2A 140/4885ALDH1A1 3187/4885LMNA 1207/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 KMT2A 140/4885ALDH1A1 3187/4885LMNA 1207/4885

“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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