SCHEMBL19951277

SCHEMBL19951277

CNC(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 3/20 0.48
CYP3A4 P08684 1/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
BRD4 O60885 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL19951233 0.87 ALDH1A1 (0.59) ALDH1A1POLBCYP3A4HTTKMT2A
SCHEMBL19951307 0.81 MBOAT4 (0.53) POLBKMT2ASMN1; SMN2GAABRD4
SCHEMBL19951292 0.78 ALDH1A1 (0.68) ALDH1A1POLBCYP3A4HTTKMT2A
SCHEMBL19951248 0.77 ALDH1A1 (0.48) ALDH1A1POLBCYP3A4HTTKMT2A
SCHEMBL19951229 0.77 ALDH1A1 (0.50) ALDH1A1POLBCYP3A4HTTSMN1; SMN2
SCHEMBL16832785 0.73 LMNA (0.50) ALDH1A1POLBCYP3A4HTTKMT2A
SCHEMBL16833131 0.72 ALDH1A1 (0.47) ALDH1A1POLBCYP3A4HTTRAB9A
SCHEMBL19951247 0.71 ALDH1A1 (0.51) ALDH1A1POLBCYP3A4HTTSMN1; SMN2
SCHEMBL16832720 0.70 ALDH1A1 (0.66) ALDH1A1POLBCYP3A4HTTKMT2A
SCHEMBL16832504 0.70 LMNA (0.57) ALDH1A1POLBCYP3A4HTTKMT2A

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 757/4885POLB 1522/4885CYP3A4 2982/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 ALDH1A1 757/4885POLB 1522/4885CYP3A4 2982/4885

“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.