SCHEMBL19951300

SCHEMBL19951300

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
RECQL P46063 2/20 0.54
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 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
SCHEMBL19951291 0.87 POLB (0.55) POLBRECQLALDH1A1KMT2ACYP2C9
SCHEMBL19951214 0.73 CYP3A4 (0.45) POLBRECQLALDH1A1KMT2ACYP2C9
SCHEMBL20327120 0.71 LOXL2 (0.44) POLBALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL16833409 0.69 MAPT (0.50) POLBRECQLALDH1A1KMT2ACYP2C9
SCHEMBL19951294 0.68 BRD4 (0.44) KMT2ALMNAMEN1
SCHEMBL84441 0.68 TSHR (0.53) POLBALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL31316911 0.68 TP53 (0.54) ALDH1A1KMT2ACYP2C19GAAMEN1
SCHEMBL19951243 0.67 ALDH1A1 (0.58) ALDH1A1KMT2AHTTGAALMNA
SCHEMBL8418961 0.67 SLC7A5 (0.47) POLBKMT2AMEN1RAB9AMAPT
SCHEMBL698948 0.67 TSHR (0.52) POLBALDH1A1KMT2ACYP2C9CYP2C19

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 355/4885ALDH1A1 757/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 POLB 1522/4885RECQL 355/4885ALDH1A1 757/4885

“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.