SCHEMBL6097688

SCHEMBL6097688

O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 6/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL6097691 1.00 MEN1 (0.61) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6098698 0.84 ALDH1A1 (0.70) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17487054 0.83 KMT2A (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6099735 0.82 MEN1 (0.77) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6099740 0.82 MEN1 (0.77) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL16024079 0.78 MEN1 (0.80) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6098154 0.77 MEN1 (0.58) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6098152 0.77 MEN1 (0.58) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL1962692 0.75 TP53 (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL1962693 0.75 TP53 (0.76) MEN1KMT2AMAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053216-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030171387-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043961-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 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-20030171387-A1 Modulators of Rho C activity RHOC, ROCK1, CIT MEN1 4684/4885KMT2A 3564/4885MAPT 4401/4885

“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.