SCHEMBL316475

SCHEMBL316475

COc1ccc(-c2nc3c(C#N)cccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
SULT1A1 P50225 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX5 P09917 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 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
SCHEMBL5423278 0.84 KDM4E (0.49) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL27955475 0.83 ADORA3 (0.44) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL9620827 0.80 KDM4E (0.61) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL316219 0.79 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL9620570 0.79 APP (0.66) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL315601 0.76 PARP1 (0.58) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL5417119 0.73 KDM4E (0.49) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL14409229 0.73 APP (0.51) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL9621138 0.73 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2RAB9ANPC1PKM
SCHEMBL2242816 0.72 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1PKM

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
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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 (1 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-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 KDM4E 2965/4885SMN1; SMN2 782/4885RAB9A 3489/4885

“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.