SCHEMBL19951292

SCHEMBL19951292

CNC(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
GAA P10253 3/20 0.68
NPSR1 Q6W5P4 1/20 0.67
HTT P42858 2/20 0.66
POLB P06746 1/20 0.66
LMNA P02545 4/20 0.62
HPGD P15428 1/20 0.60
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL19951247 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL19951196 0.81 LMNA (0.59) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL19951248 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL19951229 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL16832373 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL16832686 0.79 LMNA (0.63) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL16832720 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAAHTTPOLB
SCHEMBL19951277 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL16832460 0.77 GFER (0.63) ALDH1A1SMN1; SMN2GAANPSR1HTT
SCHEMBL16833671 0.76 MAPT (0.55) ALDH1A1SMN1; SMN2GAANPSR1HTT

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.