SCHEMBL3000357

SCHEMBL3000357

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(N)=NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.53
ALOX5AP P20292 1/20 0.52
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
SMO Q99835 5/20 0.40
MAPK14 Q16539 4/20 0.40
TNF P01375 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL13248398 1.00 PARP10 (0.53) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL14562449 1.00 PARP10 (0.53) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL708519 0.90 ALOX5AP (0.58) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL708518 0.90 ALOX5AP (0.58) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL9924124 0.90 ALOX5AP (0.58) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL2999279 0.83 PARP10 (0.57) PARP10ALOX5APRAB9ANPC1MAPT
SCHEMBL13248417 0.83 PARP10 (0.54) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL14562597 0.83 PARP10 (0.54) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL3002716 0.83 PARP10 (0.54) PARP10ALOX5APRAB9AGAANPC1
SCHEMBL3000832 0.83 ALOX5AP (0.56) PARP10ALOX5APHSD17B10KDM4EALDH1A1

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
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B PARP10 1048/4885ALOX5AP 15/4885RAB9A 4316/4885

“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.