SCHEMBL90018

SCHEMBL90018

COCCCOc1cc(C(=O)OC)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
P2RY12 Q9H244 4/20 0.48
NCF1 P14598 4/20 0.46
PLA2G2A P14555 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 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
SCHEMBL2808587 0.89 P2RY12 (0.53) ALOX15P2RY12NCF1ALDH1A1
SCHEMBL9379922 0.86 ALOX15 (0.52) ALOX15P2RY12NCF1PLA2G2AKDM4E
SCHEMBL31389258 0.86 ALOX15 (0.52) ALOX15P2RY12NCF1PLA2G2AKDM4E
SCHEMBL31389238 0.85 ALOX15 (0.57) ALOX15P2RY12PLA2G2AKDM4ETP53
SCHEMBL31389291 0.85 ALOX15 (0.51) ALOX15P2RY12NCF1KDM4EALDH1A1
SCHEMBL31389266 0.83 ALOX15 (0.55) ALOX15ALDH1A1HPGDTP53
SCHEMBL9381350 0.83 ALOX15 (0.55) ALOX15P2RY12KDM4EALDH1A1
SCHEMBL20515870 0.83 ALOX15 (0.69) ALOX15P2RY12NCF1KDM4EALDH1A1
SCHEMBL30438659 0.83 ALOX15 (0.69) ALOX15P2RY12NCF1KDM4EALDH1A1
SCHEMBL2072605 0.82 ALOX15 (0.77) ALOX15P2RY12KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (1 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALOX15 973/4885P2RY12 1957/4885NCF1 3515/4885

“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.