SCHEMBL7200564

SCHEMBL7200564

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
LMNA P02545 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GSK3B P49841 1/20 0.56
POLB P06746 2/20 0.56
CTNNB1 P35222 1/20 0.56
ERCC5 P28715 2/20 0.56
FEN1 P39748 2/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 5/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL15988711 0.87 LMNA (0.70) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL7201296 0.85 CTNNB1 (0.55) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL7200952 0.85 MEN1 (0.58) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL1436183 0.84 ERCC5 (0.66) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL711360 0.84 RAB9A (0.75) RAB9ALMNAALDH1A1KMT2AHPGD
SCHEMBL7202020 0.83 CTNNB1 (0.56) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL7207262 0.83 NPC1 (0.67) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL7202370 0.83 CTNNB1 (0.56) RAB9ALMNAALDH1A1KMT2AHPGD
SCHEMBL7206410 0.83 CTNNB1 (0.56) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL7203756 0.83 RAB9A (0.55) RAB9ALMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 1643/4885LMNA 4048/4885ALDH1A1 1476/4885

“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.