SCHEMBL2643694

SCHEMBL2643694

COc1ccc(CN2C(=O)C(C)=C(C)C2OCC(=O)Nc2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
F2 P00734 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HKDC1 Q2TB90 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 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
SCHEMBL2643123 0.87 ALDH1A1 (0.48) NPC1RAB9ATP53KDM4EKMT2A
SCHEMBL2644277 0.85 ALDH1A1 (0.48) NPC1RAB9ATP53PKMF2
SCHEMBL2666713 0.85 NPC1 (0.46) NPC1RAB9ATP53PKMF2
SCHEMBL2642774 0.85 ALDH1A1 (0.46) NPC1RAB9AKDM4EHKDC1KMT2A
SCHEMBL2642989 0.82 NPC1 (0.60) NPC1RAB9ATP53PKMKMT2A
SCHEMBL2660345 0.80 F2 (0.44) NPC1RAB9AF2KDM4EHKDC1
SCHEMBL2643315 0.80 F2 (0.44) NPC1RAB9AF2KDM4EHKDC1
SCHEMBL2643272 0.79 KDM4E (0.46) KDM4EHKDC1KMT2AMEN1ALDH1A1
SCHEMBL2666191 0.79 NPC1 (0.40) NPC1RAB9ATP53PKMKDM4E
SCHEMBL2643683 0.79 ALDH1A1 (0.48) NPC1RAB9ATP53PKMF2

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-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 (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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK NPC1 4566/4885RAB9A 3630/4885TP53 3727/4885

“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.