SCHEMBL1163428

SCHEMBL1163428

NNC(=O)C1(c2ccc3ncccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CFTR P13569 1/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CASP1 P29466 1/20 0.43
ATM Q13315 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
SCHEMBL2037389 0.86 AKR1C3 (0.55) NPC1POLBMAPTMEN1KMT2A
SCHEMBL1163617 0.81 ALOX15 (0.55) NPC1POLBMAPTMEN1KMT2A
SCHEMBL22397469 0.76 ALOX15 (0.52) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2178165 0.73 ALDH1A1 (0.53) NPC1POLBMAPTMEN1KMT2A
SCHEMBL5806558 0.71 P2RX7 (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3492806 0.71 PLK1 (0.72) NPC1POLBMAPTMEN1KMT2A
SCHEMBL31419202 0.71 PLK1 (0.72) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2491755 0.70 HDAC3 (0.67) NPC1POLBMAPTMEN1KMT2A
SCHEMBL27452226 0.70 ALDH1A1 (0.53) NPC1POLBMAPTMEN1KMT2A
SCHEMBL834676 0.70 NPC1 (0.47) NPC1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
EP-2467383-A1 HETEROCYCLIC OXIME COMPOUNDS Novartis AG (CH) 2012-06-27 EP disclosed
EP-2464649-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION Novartis AG (CH) 2012-06-20 EP disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 WO 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 (3 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-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET NPC1 3359/4885POLB 4759/4885MAPT 2693/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 NPC1 4742/4885POLB 3903/4885MAPT 2873/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 NPC1 4742/4885POLB 3903/4885MAPT 2873/4885

“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.