SCHEMBL7202370

SCHEMBL7202370

O=C(CC(=O)c1cccs1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
GSK3B P49841 3/20 0.51
HDAC1 Q13547 2/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HAO1 Q9UJM8 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL15988704 0.87 MEN1 (0.70) CTNNB1L3MBTL1RAB9AMEN1KMT2A
SCHEMBL7200952 0.85 MEN1 (0.58) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL1436183 0.84 ERCC5 (0.66) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL711360 0.84 RAB9A (0.75) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL7200564 0.83 RAB9A (0.67) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL7202020 0.83 CTNNB1 (0.56) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL7206410 0.83 CTNNB1 (0.56) CTNNB1ERCC5FEN1RAB9AMEN1
SCHEMBL7207262 0.83 NPC1 (0.67) CTNNB1ERCC5FEN1RAB9AMEN1
SCHEMBL7205003 0.82 ERCC5 (0.58) CTNNB1ERCC5FEN1L3MBTL1RAB9A
SCHEMBL28816497 0.82 CTNNB1 (0.55) CTNNB1ERCC5FEN1RAB9AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644606-A1 RARE EARTH METAL COMPLEX Hitachi Chemical Co., Ltd. (JP) 2013-10-02 EP disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
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

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 CTNNB1 2248/4885ERCC5 2903/4885FEN1 3825/4885

“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.