SCHEMBL3628498

SCHEMBL3628498

O=C(O)CCc1ccc(NCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSTO1 P78417 1/20 0.42
CPB1 P15086 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL3632850 0.92 NPSR1 (0.45) PPARDKMT2AMEN1NPSR1L3MBTL1
SCHEMBL3631460 0.88 FFAR1 (0.55) PPARDKMT2AMEN1NPSR1L3MBTL1
Hydrochloric Acid SCHEMBL3624449 0.88 FFAR1 (0.54) PPARDKMT2AMEN1NPSR1L3MBTL1
SCHEMBL3912223 0.82 PPARD (0.57) PPARDKMT2AMEN1NPSR1MAPT
SCHEMBL3628578 0.81 FFAR1 (0.53) KMT2AMEN1NPSR1L3MBTL1MAPT
SCHEMBL3628510 0.81 MEN1 (0.43) PPARDKMT2AMEN1NPSR1L3MBTL1
Hydrochloric Acid SCHEMBL3627584 0.81 FFAR1 (0.52) KMT2AMEN1L3MBTL1MAPTFFAR1
SCHEMBL3628978 0.80 KMT2A (0.47) KMT2AMEN1NPSR1L3MBTL1GSTO1
SCHEMBL3918686 0.78 FFAR1 (0.52) PPARDKMT2AMEN1NPSR1MAPT
SCHEMBL3914638 0.78 FFAR1 (0.58) PPARDKMT2AMEN1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 PPARD 43/4885KMT2A 2669/4885MEN1 3372/4885

“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.