SCHEMBL7200571

SCHEMBL7200571

CCCCc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RARB P10826 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL7200059 0.92 FFAR1 (0.43) FFAR1LMNAMAPTGAAALDH1A1
SCHEMBL7200067 0.86 FFAR1 (0.39) FFAR1LMNAMAPTPOLBGAA
SCHEMBL7199128 0.81 ALOX5 (0.39) FFAR1MAPTALDH1A1HPGDGRM5
SCHEMBL7204212 0.80 RET (0.37) FFAR1MAPTGAAALDH1A1HPGD
SCHEMBL7200475 0.80 FFAR1 (0.36) FFAR1MAPTALDH1A1HPGDGRM5
SCHEMBL7204981 0.79 GRM5 (0.43) FFAR1LMNACYP2D6MAPTCYP2C9
SCHEMBL7199032 0.79 GRM5 (0.40) FFAR1LMNAMAPTCYP2C9ALOX12
SCHEMBL7203626 0.78 NPC1 (0.43) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL7201711 0.77 RAB9A (0.44) MAPTGAAALDH1A1HSD17B10HPGD
SCHEMBL7205975 0.77 AHR (0.39) FFAR1MAPTALDH1A1HPGDGRM5

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 1261/4885LMNA 4048/4885RECQL 3085/4885

“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.