SCHEMBL851678

SCHEMBL851678

N#Cc1ccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
RAB9A P51151 2/20 0.58
MAOB P27338 2/20 0.55
SMPD1 P17405 1/20 0.53
ALKBH1 Q13686 1/20 0.53
FFAR1 O14842 2/20 0.51
NR4A2 P43354 3/20 0.50
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGER4 P35408 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KDM5A P29375 1/20 0.48

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
SCHEMBL852236 0.93 MEN1 (0.69) MEN1KMT2ARAB9AMAOBSMPD1
SCHEMBL29010786 0.90 MEN1 (0.64) MEN1KMT2ARAB9AMAOBSMPD1
SCHEMBL851730 0.89 FFAR1 (0.60) MEN1KMT2AMAOBALKBH1FFAR1
SCHEMBL851979 0.87 PARP15 (0.62) MEN1KMT2ARAB9APOLBPTGER4
SCHEMBL851692 0.84 HDAC1 (0.50) MEN1KMT2ARAB9AMAOBSMPD1
SCHEMBL851619 0.84 RAB9A (0.58) RAB9AMAOBSMPD1FFAR1RXRA
SCHEMBL851694 0.83 RAB9A (0.44) MEN1KMT2ARAB9AMAOBSMPD1
SCHEMBL851521 0.82 MAOB (0.58) MEN1KMT2ARAB9AMAOBFFAR1
SCHEMBL851769 0.82 MEN1 (0.51) MEN1KMT2ARAB9AMAOBFFAR1
SCHEMBL851606 0.81 PARP15 (0.55) MEN1KMT2ARAB9APOLBPTGER4

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.