SCHEMBL206652

SCHEMBL206652

CN(C)CC(=O)Nc1cccc(-c2nc3c(C(N)=O)cccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.50
USP2 O75604 3/20 0.50
MAPK1 P28482 2/20 0.50
PARP1 P09874 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
P2RY14 Q15391 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL205422 0.85 PARP1 (0.56) HSD17B10KDM4EALDH1A1USP2MAPK1
SCHEMBL206178 0.75 PARP1 (0.54) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL205302 0.75 PARP1 (0.58) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL204764 0.75 TOP2A (0.61) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL205563 0.74 NPC1 (0.62) KDM4EALDH1A1PARP1SMN1; SMN2MEN1
SCHEMBL3710917 0.72 TOP2A (0.58) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL204524 0.71 PARP1 (0.53) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL205875 0.70 PARP1 (0.58) HSD17B10KDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL206911 0.70 RAB9A (0.51) KDM4EALDH1A1PARP1SMN1; SMN2TSHR
SCHEMBL31631287 0.70 KDM4E (0.56) HSD17B10KDM4EALDH1A1USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 HSD17B10 1316/4885KDM4E 1650/4885ALDH1A1 398/4885

“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.