SCHEMBL7207752

SCHEMBL7207752

CCCc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
KMT2A Q03164 5/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PLK1 P53350 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 4/20 0.41
POLB P06746 3/20 0.41
CTDSP1 Q9GZU7 3/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
LMNA P02545 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7202041 0.92 FFAR1 (0.47) FFAR1PLK1ALDH1A1THRBHPGD
SCHEMBL7854583 0.92 FFAR1 (0.43) FFAR1KMT2APLA2G1BATG4BL3MBTL1
SCHEMBL7200084 0.89 RAB9A (0.50) FFAR1KMT2APLA2G1BATG4BPLK1
SCHEMBL7202504 0.83 FFAR1 (0.40) FFAR1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7203117 0.82 FFAR1 (0.42) FFAR1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL7207754 0.82 FFAR1 (0.42) FFAR1KMT2AALDH1A1POLBKDM4E
SCHEMBL7201310 0.81 VCP (0.57) FFAR1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL7203450 0.80 MEN1 (0.51) KMT2AL3MBTL1PLK1ALDH1A1POLB
SCHEMBL7206337 0.80 RAB9A (0.57) KMT2APLK1ALDH1A1GAAKDM4E
SCHEMBL7200606 0.79 APP (0.49) FFAR1KMT2AL3MBTL1ALDH1A1GAA

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 FFAR1 1261/4885KMT2A 3922/4885PLA2G1B 4573/4885

“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.