SCHEMBL4433754

SCHEMBL4433754

Nc1cc(Cl)c2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.58
MMP14 P50281 3/20 0.49
CASP6 P55212 1/20 0.49
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.44
HSP90AA1 P07900 5/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
TP53 P04637 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
SLC6A2 P23975 2/20 0.44

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
SCHEMBL6865287 0.84 MEN1 (0.48) NR4A2MMP14CASP6L3MBTL1MAPT
SCHEMBL22288222 0.80 NR4A2 (0.67) NR4A2MMP14CASP6MAPTKDM4E
SCHEMBL29661811 0.80 NR4A2 (0.67) NR4A2MMP14CASP6MAPTKDM4E
SCHEMBL7712335 0.80 NR4A2 (0.67) NR4A2MMP14CASP6CCR1CCR8
SCHEMBL29702168 0.80 NR4A2 (0.67) NR4A2MMP14CASP6CCR1CCR8
SCHEMBL23619926 0.77 NR4A2 (0.49) NR4A2CASP6MAPTKDM4EALDH1A1
SCHEMBL17839007 0.77 NR4A2 (0.49) NR4A2MMP14CASP6CCR1CCR8
SCHEMBL3454205 0.77 NR4A2 (0.49) NR4A2MMP14CASP6CCR1CCR8
SCHEMBL17838999 0.77 NR4A2 (0.49) NR4A2MMP14CASP6CCR1CCR8
SCHEMBL18572649 0.77 KDM4E (0.53) NR4A2MMP14CASP6CCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103992310-B One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor 中国医学科学院医药生物技术研究所 2016-07-06 CN disclosed
CN-103992310-A Group of substituted benzoheterocycle amine derivatives and preparation method and related application thereof as IMPDH (inosine monophosphate dehydrogenase) inhibitor INST MEDICINAL BIOTECHNOLOGY 2014-08-20 CN disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-0090360-B1 NEW QUINOLINE AND RELATED COMPOUNDS USEFUL AS ANTI-ALLERGY AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-05-18 EP 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 NR4A2 571/4885MMP14 4759/4885CASP6 4550/4885

“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.