SCHEMBL7199088

SCHEMBL7199088

O=C(C#Cc1cccs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TRPV1 Q8NER1 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TLR7 Q9NYK1 3/20 0.40
EPHX2 P34913 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
FAAH O00519 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
MAPT P10636 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
SCHEMBL7843701 0.83 RAB9A (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7200317 0.83 CES2 (0.44) RAB9ATLR7
SCHEMBL7200878 0.82 APP (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7200063 0.81 MAPT (0.43) RAB9AATMHDAC3HDAC1HDAC2
SCHEMBL7204230 0.80 APP (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7205422 0.79 HTT (0.45) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7855707 0.79 CYP1A1 (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7206337 0.78 RAB9A (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7200606 0.78 APP (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7202747 0.78 HSP90AA1 (0.49) NPC1RAB9AKMT2AMEN1MAPT

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 KCNA5 521/4885NPC1 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.