SCHEMBL852039

SCHEMBL852039

N#Cc1ccc(Oc2cc(N)cc(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
NLRP3 Q96P20 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
ST14 Q9Y5Y6 2/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL29582194 0.89 PARP15 (0.57) MEN1KMT2ARAB9APARP15PARP10
SCHEMBL851721 0.88 PARP15 (0.50) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL29619624 0.86 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL5464974 0.85 ALDH1A1 (0.64) MEN1KMT2ARAB9ANPC1PARP15
SCHEMBL3794462 0.83 MAOB (0.63) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL29657238 0.83 MAOB (0.63) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL8852392 0.82 PARP15 (0.63) MEN1KMT2ARAB9APARP15PARP10
SCHEMBL7041250 0.82 PARP15 (0.63) MEN1KMT2ARAB9APARP15PARP10
SCHEMBL24751471 0.80 KIF11 (0.45) MEN1KMT2ARAB9ANPC1NLRP3
SCHEMBL31009442 0.80 KIF11 (0.45) MEN1KMT2ARAB9ANPC1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885RAB9A 1915/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885RAB9A 1915/4885

“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.