SCHEMBL12673246

SCHEMBL12673246

Cc1nnc(NC(=O)c2cccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.61
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.42
USP8 P40818 1/20 0.42

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
SCHEMBL12673310 0.89 PARP1 (0.59) PARP1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL12673389 0.87 PARP1 (0.61) PARP1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL12673381 0.86 PARP1 (0.60) PARP1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL12673363 0.85 PARP1 (0.61) PARP1KMT2AKDM4EHPGDPIN1
SCHEMBL12673091 0.84 PARP1 (0.62) PARP1PIN1PKN1PKN2TSHR
SCHEMBL12673390 0.83 PARP1 (0.60) PARP1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL12673116 0.82 PARP1 (0.62) PARP1SMN1; SMN2HPGDALDH1A1PKN1
SCHEMBL12673103 0.82 PARP1 (0.62) PARP1PIN1PKN1PKN2
SCHEMBL12673082 0.81 PARP1 (0.61) PARP1PIN1PKN1PKN2
SCHEMBL1034840 0.81 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1

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
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-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 PARP1 287/4885KMT2A 1199/4885SMN1; SMN2 2090/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885KMT2A 1027/4885SMN1; 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.