SCHEMBL6918008

SCHEMBL6918008

Cc1ccc(NC(N)=O)cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
F13A1 P00488 1/20 0.58
TGM2 P21980 1/20 0.58
KIF11 P52732 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 2/20 0.54
RECQL P46063 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL6827233 0.84 KIF11 (0.52) POLBUSP2ALOX15CASP1CASP7
SCHEMBL3047568 0.84 ALDH1A1 (0.60) POLBUSP2ALOX15CASP1CASP7
SCHEMBL1954485 0.84 KIF11 (0.52) POLBUSP2ALOX15CASP1CASP7
SCHEMBL31213414 0.84 KIF11 (0.52) POLBKIF11NPC1KMT2AALDH1A1
SCHEMBL3012871 0.83 POLB (0.70) POLBUSP2ALOX15CASP1CASP7
SCHEMBL2755844 0.82 ALDH1A1 (0.55) POLBUSP2ALOX15CASP1CASP7
SCHEMBL6831800 0.82 ALDH1A1 (0.59) POLBKIF11NPC1RAB9AKMT2A
SCHEMBL18900103 0.82 NPC1 (0.55) POLBALOX15KIF11NPC1RAB9A
SCHEMBL2755843 0.82 KMT2A (0.59) POLBHSD17B10KIF11NPC1RAB9A
SCHEMBL8781096 0.82 KIF11 (0.50) POLBUSP2ALOX15CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-19 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20090143262-A1 Lubricant Composition FUJIFILM CORPORATION (JP) 2009-06-04 US disclosed
US-20080194441-A1 GREASE COMPOSITION, VISCOUS AGENT, AND MECHANICAL ELEMENT FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 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-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION GRB2, KRAS, HRAS POLB 3387/4885USP2 1569/4885ALOX15 4534/4885

“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.