SCHEMBL3628978

SCHEMBL3628978

COC(=O)CCc1ccc(NCc2ccc(CN(CCc3ccccc3)c3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PTPRB P23467 3/20 0.44
GSTO1 P78417 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
CPB1 P15086 1/20 0.42
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL3630910 0.94 KMT2A (0.44) KMT2AMEN1L3MBTL1NPSR1PTPRB
SCHEMBL3631460 0.91 FFAR1 (0.55) KMT2AMEN1L3MBTL1NPSR1GSTO1
Hydrochloric Acid SCHEMBL3624449 0.90 FFAR1 (0.54) KMT2AMEN1L3MBTL1NPSR1GSTO1
SCHEMBL3632850 0.89 NPSR1 (0.45) KMT2AMEN1L3MBTL1NPSR1PTPRB
SCHEMBL3917024 0.87 NPSR1 (0.53) KMT2AMEN1L3MBTL1NPSR1PTPRB
SCHEMBL3628578 0.86 FFAR1 (0.53) KMT2AMEN1L3MBTL1NPSR1MAPT
SCHEMBL3627694 0.85 MAPT (0.44) KMT2AMEN1L3MBTL1NPSR1PTPRB
SCHEMBL3630892 0.85 PTPRB (0.46) KMT2AMEN1L3MBTL1NPSR1PTPRB
Hydrochloric Acid SCHEMBL3627584 0.85 FFAR1 (0.52) KMT2AMEN1L3MBTL1PTPRBMAPT
SCHEMBL3632250 0.83 PTPRB (0.44) KMT2AMEN1L3MBTL1NPSR1PTPRB

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 KMT2A 2669/4885MEN1 3372/4885L3MBTL1 3607/4885

“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.