SCHEMBL2642989

SCHEMBL2642989

COc1ccc(CN2C(=O)C(C)=C(C)C2OCC(=O)Nc2nccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
RAB9A P51151 10/20 0.60
PKM P14618 3/20 0.60
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48
KCNA5 P22460 1/20 0.48
TSHR P16473 1/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 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
SCHEMBL2643069 0.85 NPC1 (0.53) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL2643694 0.82 NPC1 (0.49) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL2643123 0.80 ALDH1A1 (0.48) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL2666131 0.79 TSHR (0.41) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL2643272 0.78 KDM4E (0.46) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL1619278 0.78 MEN1 (0.49) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL2642774 0.77 ALDH1A1 (0.46) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL2644833 0.77 KDM4E (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1619375 0.77 SMN1; SMN2 (0.53) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL3409592 0.76 NPC1 (1.00) NPC1RAB9APKMLMNASMN1; SMN2

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 3630/4885PKM 66/4885

“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.