SCHEMBL2178212

SCHEMBL2178212

COc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.55
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKBIA P25963 1/20 0.48
RELA Q04206 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47

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
SCHEMBL2176380 0.83 MAPT (0.68) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL38666234 0.82 NPSR1 (0.67) ALDH1A1MAPTLMNACYP2C9NPSR1
SCHEMBL2177227 0.80 KMT2A (0.55) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL29440555 0.79 AURKA (0.63) KMT2AMEN1ALDH1A1NFKBIARELA
SCHEMBL19901229 0.78 LMNA (0.55) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL2179378 0.74 ALDH1A1 (0.61) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL13056247 0.74 MAPK1 (0.46) MAPTLMNACYP2C9NPSR1
SCHEMBL23697068 0.74 FASN (0.82) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL6162783 0.73 CDK2 (0.71) KMT2AMEN1
SCHEMBL3223745 0.72 ALDH1A1 (0.60) KMT2AMEN1TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 WO disclosed
WO-2011082400-A2 MODULATORS OF IMMUNOINHIBITORY RECEPTOR PD-1, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 KMT2A 3860/4885MEN1 4011/4885TDP1 2624/4885

“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.