SCHEMBL5098904

SCHEMBL5098904

COc1ccc(-c2[nH]c(/C=C(/C(=O)O)c3cccc(Cl)c3)nc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
TEK Q02763 2/20 0.39
TP53 P04637 3/20 0.39
TDP2 O95551 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL5091286 1.00 MAPT (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5091295 1.00 MAPT (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5094335 0.92 MEN1 (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5091333 0.92 MEN1 (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5091344 0.92 MEN1 (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5099038 0.91 MAPT (0.44) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5099031 0.91 MAPT (0.44) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5093314 0.89 MAOB (0.39) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5093317 0.89 MAOB (0.39) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5093324 0.89 MAOB (0.39) MAPTMEN1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US claimed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US claimed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US claimed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US claimed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US disclosed
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 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-20050197377-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4128/4885MEN1 2124/4885ALDH1A1 3320/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR MAPT 4128/4885MEN1 2124/4885ALDH1A1 3320/4885

“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.