SCHEMBL10313312

SCHEMBL10313312

Cc1ccc(Nc2c3ccccc3nc3ccccc23)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
GAA P10253 2/20 0.68
KDM1A O60341 5/20 0.61
MAPT P10636 2/20 0.56
RAPGEF4 Q8WZA2 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL12018983 0.81 MEN1 (0.60) MEN1KMT2AGAAKDM1APOLB
SCHEMBL10313315 0.79 MEN1 (0.49) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL13524798 0.78 TOP2B (0.72) MEN1KMT2AKDM1AMAPTSMN1; SMN2
SCHEMBL5107131 0.77 MEN1 (0.73) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL12693676 0.77 MAPT (0.62) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL17423377 0.76 KDM1A (0.64) MEN1KMT2AGAAKDM1AMAPT
SCHEMBL15673568 0.76 KDM1A (1.00) KMT2AKDM1AMAPTSMN1; SMN2LMNA
SCHEMBL14116115 0.75 KDM1A (0.68) MEN1KMT2AGAAKDM1AMAPT
SCHEMBL4906421 0.75 KDM1A (0.58) MEN1KMT2AGAAKDM1AMAPT
SCHEMBL30307453 0.75 RIPK2 (0.62) MAPTSMN1; SMN2LMNANPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2012-07-05 US disclosed
US-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NEW YORK UNIVERSITY (US) 2012-07-05 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-20120172292-A1 METHOD FOR PROTECTION OF ANTIMICROBIAL AND ANTICANCER DRUGS FROM INACTIVATION BY NITRIC OXIDE NOS2, NOS1, NOS3 MEN1 2416/4885KMT2A 3096/4885GAA 1285/4885

“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.