SCHEMBL2180044

SCHEMBL2180044

Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYTH2 Q99418 1/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
EDNRB P24530 2/20 0.50
EDNRA P25101 2/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL2177837 0.81 CYP2C19 (0.68) MAPTLMNAALDH1A1SMN1; SMN2EDNRA
SCHEMBL3434693 0.81 KDM4E (0.58) CYTH2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2180234 0.79 KMO (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL30354785 0.79 KDM4E (0.53) KMT2AMEN1CYTH2MAPTLMNA
SCHEMBL2180207 0.78 CA2 (0.53) KMT2AMEN1CYTH2ALDH1A1CA2
SCHEMBL3925744 0.76 LMNA (0.78) KMT2ALMNAALDH1A1SMN1; SMN2CA2
SCHEMBL5942928 0.76 ALDH1A1 (0.68) KMT2AMEN1CYTH2MAPTALDH1A1
SCHEMBL30978874 0.76 ALDH1A1 (0.72) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL12904222 0.75 KMT2A (0.66) KMT2AMEN1CYTH2LMNAALDH1A1
SCHEMBL2179378 0.75 ALDH1A1 (0.61) KMT2AMEN1MAPTLMNAALDH1A1

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 4011/4885CYTH2 970/4885

“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.