SCHEMBL19951248

SCHEMBL19951248

CNC(=O)c1ccnc(Cn2nc(C)c([N+](=O)[O-])c2C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL19951243 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAHTTKMT2A
SCHEMBL19951220 0.82 KLKB1 (0.44) GAAKMT2ALMNA
SCHEMBL19951292 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAANPSR1POLB
SCHEMBL19951229 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAANPSR1POLB
SCHEMBL19951277 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAANPSR1POLB
SCHEMBL19951247 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAANPSR1POLB
SCHEMBL16832785 0.75 LMNA (0.50) ALDH1A1SMN1; SMN2GAAPOLBHTT
SCHEMBL19951256 0.72 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAANPSR1POLB
SCHEMBL16832318 0.69 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2GAAHTTKMT2A
SCHEMBL16832427 0.69 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAAHTTLMNA

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-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 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 (2 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 ALDH1A1 757/4885SMN1; SMN2 2882/4885GAA 1917/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 ALDH1A1 757/4885SMN1; SMN2 2882/4885GAA 1917/4885

“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.