SCHEMBL4796619

SCHEMBL4796619

NC(=O)c1ccccc1-c1ccc(Cc2nnn[nH]2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
NUDT1 P36639 1/20 0.33
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
ACACA Q13085 1/20 0.32
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
EGFR P00533 1/20 0.32
GRM5 P41594 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
RPS6KB2 Q9UBS0 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4796632 0.81 ALDH1A1 (0.35) RAB9ANPC1
SCHEMBL2660074 0.75 ALDH1A1 (0.37) BCAT2CSNK1A1TYRO3DYRK1BPARP1
SCHEMBL16936587 0.72
SCHEMBL2650295 0.70 CSNK1A1 (0.54) BCAT2CSNK1A1TYRO3DYRK1BRAB9A
SCHEMBL24800447 0.69 BCAT2 (0.50) BCAT2CSNK1A1TYRO3DYRK1BRAB9A
SCHEMBL17766676 0.68 ACACA (0.58) RAB9ANPC1ACACAEGFRPOLB
SCHEMBL3217964 0.67 FGFR1 (0.31) CSNK1A1TYRO3DYRK1B
SCHEMBL25094314 0.67 BCAT2 (0.47) BCAT2CSNK1A1TYRO3DYRK1BRAB9A
SCHEMBL22066854 0.66 ADRA1D (0.45) RAB9ANPC1
SCHEMBL4950617 0.65 BCAT2 (0.54) BCAT2CSNK1A1TYRO3DYRK1BRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
EP-1940372-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS Revotar Biopharmaceuticals AG (DE) 2008-07-09 EP disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE BCAT2 1987/4885CSNK1A1 3568/4885TYRO3 56/4885

“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.