SCHEMBL7201263

SCHEMBL7201263

COCOc1ccc(C(=O)CC(=O)c2cccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 7/20 0.50
POLB P06746 2/20 0.48
CTNNB1 P35222 1/20 0.48
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 3/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
NLRP3 Q96P20 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7200031 0.86 RAB9A (0.72) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL15227842 0.86 L3MBTL1 (0.68) NPC1RAB9AHPGDL3MBTL1MAPT
SCHEMBL7200598 0.84 KMT2A (0.66) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL7204933 0.81 NPC1 (0.50) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL28972844 0.81 L3MBTL1 (0.62) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL7203213 0.81 RAB9A (0.58) NPC1RAB9AHPGDL3MBTL1MAPT
SCHEMBL7204540 0.80 POLB (0.50) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL7207234 0.80 NPC1 (0.49) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL15235913 0.80 RAB9A (0.57) NPC1RAB9AHPGDTSHRL3MBTL1
SCHEMBL7207262 0.78 NPC1 (0.67) NPC1RAB9AHPGDMAPTKMT2A

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 1643/4885HPGD 3007/4885

“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.