SCHEMBL2643616

SCHEMBL2643616

COc1ccc(CN2C(=O)C(C)=C(C)C2SCC(=O)Nc2cccc(C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GBA1 P04062 1/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
GRM5 P41594 2/20 0.43
USP2 O75604 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2644277 0.87 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2643472 0.83 RAB9A (0.45) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2643266 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2643579 0.82 KDM4E (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2643492 0.82 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL2644216 0.81 TSHR (0.41) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL2643673 0.81 MAPK10 (0.47) ALDH1A1SMN1; SMN2KDM4ETP53KMT2A
SCHEMBL2642709 0.81 MAPT (0.42) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL2643069 0.80 NPC1 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL2643421 0.80 VNN1 (0.43) ALDH1A1TSHRNPC1RAB9AMAPT

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 ALDH1A1 2312/4885TSHR 3038/4885NPC1 4566/4885

“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.