SCHEMBL16319299

SCHEMBL16319299

COc1ccc(F)c(-c2ccc(CO)nc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
AMY1A P0DUB6 1/20 0.41
GRK6 P43250 1/20 0.41
FFAR1 O14842 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
S1PR4 O95977 1/20 0.38
IDH2 P48735 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
DYRK1A Q13627 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL16319094 0.81 PDE2A (0.48) AMY1AGRK6IDH2NPC1RAB9A
SCHEMBL16318830 0.81 FFAR1 (0.53) AMY1AGRK6FFAR1IDH2NPC1
SCHEMBL17419037 0.80 KDM4E (0.42) ALDH1A1KDM4EGRK6FFAR1KMT2A
SCHEMBL16319342 0.79 FFAR1 (0.45) ALDH1A1KDM4EGRK6FFAR1IDH2
SCHEMBL16318848 0.77 PTPN1 (0.43) ALDH1A1KDM4EAMY1AGRK6KMT2A
SCHEMBL16318974 0.75 FFAR1 (0.40) KDM4EAMY1AGRK6FFAR1NPC1
SCHEMBL2549690 0.74 GRK6 (0.48) AMY1AGRK6FFAR1CYP11B1CYP11B2
SCHEMBL15973333 0.72 PDE2A (0.43) ALDH1A1KDM4EAMY1AGRK6KMT2A
SCHEMBL18490099 0.72 NOTUM (0.46) ALDH1A1KDM4EGRK6FFAR1KMT2A
SCHEMBL8698362 0.71 MAPT (0.40) ALDH1A1AMY1AKMT2AMEN1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
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-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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 ALDH1A1 2085/4885KDM4E 2012/4885AMY1A 1464/4885

“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.