SCHEMBL3102205

SCHEMBL3102205

Cc1oc(-c2ccc(C(F)(F)F)cn2)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KIF11 P52732 1/20 0.36
PDE2A O00408 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
CASP3 P42574 2/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3904591 0.79 CYP1A1 (0.44) KDM4ENPSR1SMN1; SMN2MAPTTDP1
SCHEMBL3102273 0.78 PTGER4 (0.43) KDM4EALDH1A1GLAMAPTCASP3
SCHEMBL3099232 0.76 KDM4E (0.42) KDM4ENPSR1KIF11PDE2AL3MBTL1
SCHEMBL17009402 0.74 ALOX5AP (0.46) KDM4ENPSR1ALOX5APFEN1KIF11
SCHEMBL3102052 0.73 ERN1 (0.47) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3480550 0.69 FEN1 (0.52) ALOX5APFEN1KIF11HDAC1
SCHEMBL18003550 0.69 KIF11 (0.42) KDM4ENPSR1ALOX5APFEN1KIF11
SCHEMBL811160 0.68 NPSR1 (0.53) KDM4ENPSR1KIF11L3MBTL1KMT2A
SCHEMBL29595709 0.68 NPSR1 (0.53) KDM4ENPSR1KIF11L3MBTL1KMT2A
SCHEMBL3106990 0.68 NPSR1 (0.36) KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR KDM4E 2280/4885NPSR1 309/4885ALOX5AP 3420/4885

“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.