SCHEMBL1178367

SCHEMBL1178367

O=C(O)C=Cc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTR1E P28566 3/20 0.41
S1PR3 Q99500 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
C3AR1 Q16581 2/20 0.38
MAOB P27338 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RAB9A P51151 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL1178365 1.00 PTGES (0.43) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL1178223 0.93 LMNA (0.43) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL1178221 0.93 LMNA (0.43) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL1178644 0.91 PTGES (0.40) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL1178647 0.87 PTGES (0.42) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL12872122 0.87 PTGES (0.45) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL7601815 0.87 KMT2A (0.44) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL3696480 0.87 PTGES (0.40) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL16579476 0.87 PTGES (0.40) PTGESMEN1KMT2AHTR1ES1PR3
SCHEMBL12872141 0.87 PTGES (0.50) PTGESMEN1KMT2AHTR1ES1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGES 224/4885MEN1 3585/4885KMT2A 2766/4885

“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.