SCHEMBL7202504

SCHEMBL7202504

CCOCc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
VCP P55072 1/20 0.35
DPP4 P27487 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
RGS12 O14924 1/20 0.34
GRM5 P41594 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIN1 Q13526 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7203117 0.87 FFAR1 (0.42) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7200084 0.85 RAB9A (0.50) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7207752 0.83 FFAR1 (0.49) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7206337 0.82 RAB9A (0.57) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL7202041 0.81 FFAR1 (0.47) FFAR1HPGDALDH1A1TRPV1
SCHEMBL7207754 0.79 FFAR1 (0.42) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7200606 0.79 APP (0.49) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7201310 0.78 VCP (0.57) FFAR1RAB9ANPC1HPGDMAPT
SCHEMBL7203450 0.77 MEN1 (0.51) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL7200878 0.77 APP (0.54) RAB9ANPC1HPGDMAPTALDH1A1

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 FFAR1 1261/4885RAB9A 1643/4885NPC1 395/4885

“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.