SCHEMBL12662487

SCHEMBL12662487

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL12662428 0.93 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12662415 0.91 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12661872 0.90 PARP1 (0.46) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12662391 0.89 PARP1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL1888343 0.85 MGAM (0.42) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12662564 0.84 LIMK1 (0.37) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12662567 0.84 LIMK1 (0.37) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12661913 0.83 PARP1 (0.46) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12673201 0.81 PARP1 (0.46) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12662479 0.81 PARP1 (0.41) RAB9ANPC1MEN1KMT2AGRM5

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 5 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

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 1249/4885NPC1 3662/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1031/4885RAB9A 1407/4885NPC1 3774/4885

“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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