SCHEMBL12662415

SCHEMBL12662415

Cc1cnc(NC(=O)c2cncc3[nH]c(-c4ccc(Cl)cc4C(F)(F)F)nc23)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 8/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ POLB P06746 1/20 0.39
▸ FFAR2 O15552 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TMPRSS4 Q9NRS4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL12662487 0.91 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12673201 0.90 PARP1 (0.46) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662391 0.89 PARP1 (0.48) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662428 0.86 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662406 0.85 KCNMA1 (0.50) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662567 0.84 LIMK1 (0.37) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662564 0.84 LIMK1 (0.37) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13551057 0.82 PARP1 (0.47) FFAR2
SCHEMBL12661872 0.81 PARP1 (0.46) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12662408 0.81 KCNMA1 (0.49) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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 ALDH1A1 639/4885RAB9A 1249/4885SMN1; SMN2 2090/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1031/4885RAB9A 1407/4885SMN1; SMN2 2143/4885

“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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