SCHEMBL7201711

SCHEMBL7201711

CCOc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 9/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
NQO1 P15559 1/20 0.38

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
SCHEMBL7203626 0.90 NPC1 (0.43) RAB9ANPC1HPGDTSHRACACB
SCHEMBL7203679 0.87 ACACB (0.38) RAB9ANPC1HPGDTSHRL3MBTL1
SCHEMBL6754843 0.85 ALDH1A1 (0.38) RAB9ANPC1HPGDTSHRACACB
SCHEMBL7201718 0.84 MAOB (0.36) HPGDL3MBTL1ACACBMAPTALDH1A1
SCHEMBL7205868 0.83 MEN1 (0.40) RAB9ANPC1HPGDL3MBTL1ACACB
SCHEMBL7204903 0.83 CYP17A1 (0.40) HPGDL3MBTL1ACACBMAPTALDH1A1
SCHEMBL7200067 0.82 FFAR1 (0.39) RAB9ANPC1HPGDTSHRL3MBTL1
SCHEMBL7199128 0.82 ALOX5 (0.39) HPGDTSHRL3MBTL1MAPTALDH1A1
SCHEMBL7205470 0.80 HTT (0.41) HPGDTSHRL3MBTL1ACACBMAPT
SCHEMBL7199032 0.80 GRM5 (0.40) RAB9ANPC1HPGDL3MBTL1ACACB

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 5 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
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-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.