SCHEMBL5094451

SCHEMBL5094451

O=C(O)C(Cc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ECE1 P42892 1/20 0.37
CTSA P10619 2/20 0.36
MEN1 O00255 3/20 0.36
TSPO P30536 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NR1I3 Q14994 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GUSB P08236 1/20 0.34

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
SCHEMBL5093239 0.77 MAPT (0.42) KMT2ACTSAMEN1ALDH1A1
SCHEMBL5099932 0.77 MAPK14 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL5093365 0.73 MAPK14 (0.44) KMT2ACTSAMEN1ALDH1A1NPSR1
SCHEMBL3048277 0.69 ACP3 (0.59) KMT2AECE1MEN1CYP2C9ALDH1A1
SCHEMBL9201734 0.68 RXRA (0.46)
SCHEMBL6366676 0.66 CYP2C9 (0.49) ECE1CYP2C9ALDH1A1
SCHEMBL6366679 0.66 CYP2C9 (0.49) ECE1CYP2C9ALDH1A1
SCHEMBL1863359 0.66 CYP2C9 (0.49) ECE1CYP2C9ALDH1A1
SCHEMBL6743921 0.65 CYP2C9 (0.59) KMT2AECE1MEN1CYP2C9TSHR
SCHEMBL22614679 0.65 ROCK2 (0.52) ECE1CYP2C9ALDH1A1

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 16 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
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 WO 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 KMT2A 4359/4885ECE1 902/4885CTSA 2761/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR KMT2A 4359/4885ECE1 902/4885CTSA 2761/4885

“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.