SCHEMBL3630378

SCHEMBL3630378

O=C(O)Cc1coc2cc(NCc3ccc(CN(CCc4ccccc4)c4nc(-c5ccccc5)cs4)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SREBF2 Q12772 1/20 0.39
FFAR1 O14842 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GSTO1 P78417 1/20 0.38
CPB1 P15086 1/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL13226229 0.93 NPSR1 (0.39) PTPRBKMT2AMEN1L3MBTL1SREBF2
SCHEMBL3631460 0.81 FFAR1 (0.55) KMT2AMEN1L3MBTL1FFAR1NPSR1
Hydrochloric Acid SCHEMBL3624449 0.80 FFAR1 (0.54) KMT2AMEN1L3MBTL1FFAR1NPSR1
SCHEMBL3624445 0.78 PTPN22 (0.40) PTPRB
SCHEMBL3624441 0.78 PTPN22 (0.40) PTPRB
SCHEMBL3628978 0.77 KMT2A (0.47) PTPRBKMT2AMEN1L3MBTL1SREBF2
SCHEMBL3628510 0.76 MEN1 (0.43) PTPRBKMT2AMEN1L3MBTL1FFAR1
SCHEMBL3632250 0.76 PTPRB (0.44) PTPRBKMT2AMEN1L3MBTL1SREBF2
SCHEMBL3628578 0.75 FFAR1 (0.53) KMT2AMEN1L3MBTL1SREBF2FFAR1
SCHEMBL18674595 0.74 KMT2A (0.51) PTPRBKMT2AMEN1L3MBTL1NPSR1

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 PTPRB 989/4885KMT2A 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.