SCHEMBL16319382

SCHEMBL16319382

COc1ccc(F)c(-c2ccc(CN3C(=O)c4ccccc4C3=O)nc2OCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
FFAR1 O14842 1/20 0.42
KMT2A Q03164 2/20 0.40
GRM5 P41594 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 4/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ACHE P22303 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
SCHEMBL16319023 0.80 FFAR1 (0.45) FFAR1HPGDRAB9ACYP2C19KDM4E
SCHEMBL16319342 0.80 FFAR1 (0.45) FFAR1HPGDRAB9ACYP2C19KDM4E
SCHEMBL16318846 0.74 FFAR1 (0.43) FFAR1CYP1A2CYP2C19KDM4E
SCHEMBL16319017 0.69 FFAR1 (0.42) FFAR1KMT2ARAB9ANPC1MEN1
SCHEMBL16319165 0.68 FFAR1 (0.82) FFAR1
SCHEMBL16319380 0.68 FFAR1 (0.40) FFAR1KMT2AHPGDRAB9ACYP2C19
SCHEMBL4411556 0.68 KMT2A (0.59) CASP3KMT2AGRM5HPGDRAB9A
SCHEMBL25757310 0.67 MEN1 (0.47) CASP3KMT2AHPGDRAB9APDE10A
SCHEMBL30498392 0.67 MEN1 (0.47) CASP3KMT2AHPGDRAB9APDE10A
SCHEMBL16318882 0.67 FFAR1 (0.43) FFAR1HPGDRAB9APDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 CASP3 4107/4885FFAR1 31/4885KMT2A 2066/4885

“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.