SCHEMBL7199097

SCHEMBL7199097

O=C(C#Cc1cccs1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
FFAR1 O14842 1/20 0.37
ADK P55263 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
GRM5 P41594 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CCR2 P41597 1/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GSK3B P49841 1/20 0.33
ERN1 O75460 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
SCHEMBL7845827 0.83 CNR2 (0.40) SMN1; SMN2RAB9ANPC1FFAR1ADK
SCHEMBL7202005 0.82 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7202358 0.79 ALDH1A1 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7203523 0.78 RAB9A (0.49) SMN1; SMN2RAB9ANPC1FFAR1ADK
SCHEMBL7205899 0.78 PARP1 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7205482 0.78 MAPT (0.52) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL7203229 0.77 TP53 (0.47) SMN1; SMN2FFAR1ALDH1A1GAAMAPT
SCHEMBL7200524 0.76 ALDH1A1 (0.37) SMN1; SMN2RAB9ANPC1FFAR1ALDH1A1
SCHEMBL7199658 0.75 CES2 (0.41) RAB9ANPC1FFAR1ALDH1A1GRM5
SCHEMBL28454253 0.74 RAB9A (0.50) SMN1; SMN2RAB9ANPC1FFAR1ALDH1A1

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 SMN1; SMN2 3988/4885RAB9A 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.