SCHEMBL352878

SCHEMBL352878

NC(=O)c1cccc2cc(-c3ccc4c(C(=O)N(c5cccc(C(F)(F)F)c5)c5cccc(C(F)(F)F)c5)cccc4c3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.51
MTOR P42345 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KDR P35968 1/20 0.41
KIF11 P52732 1/20 0.41
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PLA2G10 O15496 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
CASP1 P29466 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
SYK P43405 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
SCHEMBL353489 0.84 ALDH1A1 (0.53) PARP1KDM4EALDH1A1GAAKDR
SCHEMBL634882 0.78 KDM4E (0.65) PARP1KDM4EALDH1A1GAAKDR
SCHEMBL353582 0.74 KDM4E (0.48) PARP1KDM4EALDH1A1GAAKDR
SCHEMBL634716 0.74 KDM4E (0.53) PARP1KDM4EALDH1A1GAAKDR
SCHEMBL5606524 0.72 CES2 (0.50) KDM4EALDH1A1KIF11
SCHEMBL28217598 0.69 PTGIR (0.46) KIF11
SCHEMBL7739130 0.68 CES2 (0.50) PARP1ALDH1A1PLGPLAUPLAT
SCHEMBL17292708 0.68 ATM (0.47) PARP1KDM4EALDH1A1GAA
SCHEMBL4724483 0.67 PARP1 (0.59) PARP1KDM4EALDH1A1KIF11PLG
SCHEMBL352877 0.67 PARP1 (0.50) PARP1KDM4EKIF11AURKARPS6KB1

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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 PARP1 2623/4885MTOR 3950/4885KDM4E 4564/4885

“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.