SCHEMBL12662406

SCHEMBL12662406

O=C(Nc1nccs1)c1cncc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.50
▸ GCK P35557 1/20 0.49
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL1888343 0.91 MGAM (0.42) KCNMA1GCKKMT2AMEN1MAPT
SCHEMBL12673195 0.89 KCNMA1 (0.51) KCNMA1GCKKMT2AMEN1MAPT
SCHEMBL1890883 0.88 PARP1 (0.49) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL12662417 0.86 MGAM (0.40) KCNMA1GCKKMT2AMEN1MAPT
SCHEMBL12662415 0.85 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL12662385 0.85 KCNMA1 (0.53) KCNMA1GCKKMT2AMEN1MAPT
SCHEMBL13256163 0.85 KCNMA1 (0.53) KCNMA1GCKKMT2AMEN1MAPT
SCHEMBL12662566 0.83 SCN9A (0.40) GCKKMT2AMEN1MAPTALDH1A1
SCHEMBL12662561 0.83 SCN9A (0.40) GCKKMT2AMEN1MAPTALDH1A1
SCHEMBL12662408 0.83 KCNMA1 (0.49) KCNMA1KMT2AMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — WO 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KCNMA1 3075/4885GCK 370/4885KMT2A 1199/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KCNMA1 3635/4885GCK 377/4885KMT2A 1027/4885

“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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