SCHEMBL19951256

SCHEMBL19951256

COC(=O)c1cc(Cn2nc(C)c([N+](=O)[O-])c2C)ccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.46
MAPT P10636 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
SCHEMBL19951229 0.87 ALDH1A1 (0.50) ALDH1A1GAAHTTPOLBRAB9A
SCHEMBL16832427 0.81 ALDH1A1 (0.70) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL19951243 0.80 ALDH1A1 (0.58) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL19951285 0.77 ALDH1A1 (0.59) ALDH1A1GAAHTTPOLBRAB9A
SCHEMBL19951233 0.77 ALDH1A1 (0.59) ALDH1A1HTTPOLBRAB9ASMN1; SMN2
SCHEMBL18471463 0.76 ALDH1A1 (0.64) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL16832413 0.76 LMNA (0.56) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL16832460 0.74 GFER (0.63) ALDH1A1GAAHTTPOLBRAB9A
SCHEMBL16832373 0.73 ALDH1A1 (0.58) ALDH1A1GAAHTTPOLBSMN1; SMN2
SCHEMBL16832564 0.73 RAB9A (0.77) ALDH1A1GAAHTTRAB9ASMN1; SMN2

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 757/4885GAA 1917/4885HTT 2287/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 ALDH1A1 757/4885GAA 1917/4885HTT 2287/4885

“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.