SCHEMBL7202005

SCHEMBL7202005

O=C(C#Cc1cccs1)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GRIK1 P39086 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL7202358 0.89 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7203229 0.84 TP53 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7203523 0.79 RAB9A (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7205899 0.78 PARP1 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7845827 0.78 CNR2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL20512347 0.78 SMN1; SMN2 (0.63) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8653003 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7205482 0.75 MAPT (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7204989 0.74 CES2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7832775 0.73 RAB9A (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 3988/4885NPC1 395/4885RAB9A 1643/4885

“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.