SCHEMBL4436189

SCHEMBL4436189

O=[N+]([O-])c1cc(Cl)c2cccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ HTT P42858 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ PKM P14618 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48

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
SCHEMBL30122661 1.00 MEN1 (0.55) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL6865287 0.92 MEN1 (0.48) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL28553829 0.81 NQO2 (0.51) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL30918539 0.81 MAPT (0.55) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL1885566 0.79 HSD17B10 (0.50) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL30122630 0.77 MAPT (0.48) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL27964543 0.77 POLB (0.45) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL30437811 0.77 MAPT (0.52) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL10844067 0.74 POLB (0.61) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL18572649 0.74 KDM4E (0.53) MEN1KMT2AKDM4EMAPTHTT

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-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

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 MEN1 3527/4885KMT2A 3992/4885KDM4E 3923/4885

“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.

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