SCHEMBL17866476

SCHEMBL17866476

NCc1ccc(C(=O)Nc2ccncc2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
GAA P10253 2/20 0.62
HTT P42858 2/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
RECQL P46063 1/20 0.52
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 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
SCHEMBL16585127 0.90 SMN1; SMN2 (0.60) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL8122501 0.82 SMN1; SMN2 (0.70) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL1553522 0.80 KLKB1 (0.64) ALOX15PRKCIKLKB1JAK2TYK2
SCHEMBL2464260 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL2464262 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL30828600 0.78 MAPT (0.67) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL8114708 0.77 SMN1; SMN2 (1.00) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL27508409 0.76 GAA (0.64) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL1553245 0.75 POLB (0.63) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL1553357 0.74 KLKB1 (0.59) SMN1; SMN2GAAHTTMAPTLMNA

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-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 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-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 SMN1; SMN2 4001/4885GAA 4212/4885HTT 4472/4885

“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.