SCHEMBL7203626

SCHEMBL7203626

CCCOc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 1/20 0.43
ACACB O00763 8/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
ACACA Q13085 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NLRP3 Q96P20 1/20 0.40
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7201711 0.90 RAB9A (0.44) NPC1RAB9AACACBALDH1A1SMN1; SMN2
SCHEMBL7203679 0.85 ACACB (0.38) NPC1RAB9APOLBACACBALDH1A1
SCHEMBL6754843 0.82 ALDH1A1 (0.38) NPC1RAB9APOLBACACBALDH1A1
SCHEMBL7201718 0.82 MAOB (0.36) ACACBALDH1A1HPGDMAPT
SCHEMBL7204903 0.81 CYP17A1 (0.40) ACACBALDH1A1HPGDMAPT
SCHEMBL7205868 0.81 MEN1 (0.40) NPC1RAB9APOLBACACBALDH1A1
SCHEMBL7200059 0.80 FFAR1 (0.43) ACACBALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL7200067 0.80 FFAR1 (0.39) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7205470 0.78 HTT (0.41) ACACBALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL7200571 0.78 FFAR1 (0.41) POLBALDH1A1TP53HPGDKDM4E

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 NPC1 395/4885RAB9A 1643/4885POLB 4420/4885

“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.