SCHEMBL7203523

SCHEMBL7203523

O=C(C#Cc1cccs1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ADK P55263 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
FFAR1 O14842 1/20 0.38
HPGD P15428 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
SCHEMBL7832775 0.93 RAB9A (0.43) RAB9ANPC1TAAR1MAPTKMT2A
SCHEMBL7845827 0.86 CNR2 (0.40) RAB9ANPC1MAPTALDH1A1ADK
SCHEMBL7200606 0.85 APP (0.49) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7202747 0.85 HSP90AA1 (0.49) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7201310 0.84 VCP (0.57) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7204585 0.84 APP (0.51) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7203532 0.84 MAPT (0.44) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7204230 0.84 APP (0.47) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7199091 0.83 ALDH1A1 (0.40) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7205482 0.83 MAPT (0.52) RAB9ANPC1MAPTKMT2AMEN1

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 395/4885TAAR1 743/4885

“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.