SCHEMBL16319150

SCHEMBL16319150

COC(=O)c1cnc(-c2cc(OC)ccc2F)c(CCC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
VNN1 O95497 1/20 0.37
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NMT1 P30419 1/20 0.36
GRK6 P43250 1/20 0.35
CTSA P10619 2/20 0.35
POLQ O75417 1/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL16319122 0.82 FFAR1 (0.39) DHODHFFAR1NPC1RAB9ACYP11B1
SCHEMBL16319021 0.79 XDH (0.45) DHODHVNN1FFAR1POLBCYP11B1
SCHEMBL16319350 0.75 MAPK1 (0.38) VNN1NMT1KDM4EALDH1A1
SCHEMBL16319427 0.75 FFAR1 (0.44) DHODHVNN1FFAR1CYP11B1CYP11B2
SCHEMBL16319080 0.75 FFAR1 (0.33) FFAR1
SCHEMBL16319374 0.74 MAPK1 (0.39) NPC1POLBKDM4EALDH1A1CYP1A2
SCHEMBL16319149 0.73 FFAR1 (0.47) FFAR1CTSAKDM4EALDH1A1CYP1A2
SCHEMBL16318556 0.70 ESR1 (0.39) FFAR1POLBALDH1A1
SCHEMBL2311789 0.69 CA1 (0.46) FFAR1NPC1POLBRAB9ABLM
SCHEMBL17418966 0.68 CTSA (0.41) DHODHFFAR1NPC1RAB9AGRK6

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 DHODH 3343/4885VNN1 3976/4885FFAR1 31/4885

“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.