SCHEMBL19951291

SCHEMBL19951291

CNC(=O)c1cccc(C(C)n2nc(C)c([N+](=O)[O-])c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL19951300 0.87 POLB (0.55) POLBRECQLL3MBTL1GAAALDH1A1
SCHEMBL19951294 0.82 BRD4 (0.44) KMT2AMEN1LMNA
SCHEMBL19951214 0.82 CYP3A4 (0.45) POLBRECQLL3MBTL1GAAALDH1A1
SCHEMBL19951292 0.75 ALDH1A1 (0.68) POLBNPSR1GAAALDH1A1HTT
SCHEMBL19951273 0.70 MEN1 (0.46) POLBALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL16833409 0.69 MAPT (0.50) POLBRECQLL3MBTL1GAAALDH1A1
SCHEMBL276759 0.68 HDAC8 (0.59) RECQLGAAALDH1A1HTTHPGD
SCHEMBL31316890 0.68 F2 (0.45) L3MBTL1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL19951248 0.67 ALDH1A1 (0.48) POLBNPSR1L3MBTL1GAAALDH1A1
SCHEMBL2426452 0.67 HDAC8 (0.58) RECQLGAAALDH1A1HPGDKMT2A

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 3 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
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 POLB 1522/4885RECQL 355/4885NPSR1 3871/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 POLB 1522/4885RECQL 355/4885NPSR1 3871/4885

“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.