SCHEMBL7206337

SCHEMBL7206337

CCOc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 4/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
PARP10 Q53GL7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PLK1 P53350 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL7855707 0.92 CYP1A1 (0.52) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7203450 0.90 MEN1 (0.51) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7199988 0.87 RAB9A (0.42) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7200878 0.85 APP (0.54) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL7204514 0.84 HPGD (0.42) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7843701 0.83 RAB9A (0.43) RAB9ANPC1HPGDTSHRKMT2A
SCHEMBL7200085 0.83 CHRNB2 (0.42) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7854744 0.82 MEN1 (0.45) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL7200084 0.82 RAB9A (0.50) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL7202504 0.82 FFAR1 (0.40) RAB9ANPC1HPGDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 RAB9A 1643/4885NPC1 395/4885HPGD 3007/4885

“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.