SCHEMBL3090890

SCHEMBL3090890

COCc1oc(-c2ccc(F)cc2)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.40
MAOB P27338 3/20 0.40
AR P10275 2/20 0.40
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ERN1 O75460 2/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 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
SCHEMBL3105318 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTARESR1
SCHEMBL3107300 0.85 RAB9A (0.41) ALDH1A1KDM4EMAPTMAOBAR
SCHEMBL3100344 0.81 ERN1 (0.34) ALDH1A1KDM4EMAPTESR1ERN1
SCHEMBL3102753 0.78 ERN1 (0.48) MAPTERN1
SCHEMBL3104856 0.75 MAOB (0.41) ALDH1A1KDM4ELMNAMAOBAR
SCHEMBL3102505 0.75 KDM4E (0.50) ALDH1A1KDM4ELMNAMAOBAR
SCHEMBL3100109 0.75 SLC6A4 (0.47) ALDH1A1KDM4ELMNAMAOBAR
SCHEMBL3099202 0.72 EGFR (0.51) ALDH1A1KDM4ELMNAMAPTMAOB
SCHEMBL3101477 0.72 CYP1A1 (0.38) ARCYP1A1CYP1A2CYP1B1ESR1
SCHEMBL19859301 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMAOBERN1

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 ALDH1A1 3963/4885KDM4E 2280/4885LMNA 2457/4885

“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.