SCHEMBL3781533

SCHEMBL3781533

O=C1NCCN1c1ccc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
TP53 P04637 2/20 0.50
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
CHRNA7 P36544 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 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
SCHEMBL3787691 0.88 CHRNA7 (0.48) POLBTP53PSMD14MMP2CHRNA7
SCHEMBL3783753 0.82 CHRNB2 (0.53) TP53ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL29346972 0.80 TP53 (0.45) POLBTP53PSMD14MMP2CHRNA7
SCHEMBL3782634 0.80 SLC6A2 (0.54) ALDH1A1HSP90AA1MAPK10
SCHEMBL4215305 0.79 POLB (0.47) POLBTP53PSMD14MMP2CHRNA7
SCHEMBL2418717 0.76 HTR3E (0.61) POLBCHRNA7NCOA3ALDH1A1MAPT
SCHEMBL3783199 0.75 HDAC1 (0.52) POLBTP53PSMD14MMP2CHRNA7
SCHEMBL22440445 0.74 NCOA3 (0.55) POLBTP53PSMD14MMP2CHRNA7
SCHEMBL30071523 0.73 QPCT (0.48) POLBALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL28874935 0.73 TERT (0.56) POLBTP53PSMD14MMP2CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 POLB 1277/4885TP53 3344/4885PSMD14 1008/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 POLB 1277/4885TP53 3344/4885PSMD14 1008/4885

“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.