SCHEMBL3104730

SCHEMBL3104730

CCc1oc(-c2ccccc2)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
DDAH1 O94760 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
CA12 O43570 1/20 0.37
TNKS O95271 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ABCB1 P08183 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
SCHEMBL3105318 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EDDAH1KMT2AMEN1
SCHEMBL3102040 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EDDAH1KMT2AMEN1
SCHEMBL3099202 0.81 EGFR (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3905767 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3104847 0.80 CYP1A1 (0.42) MAPTCYP3A4ARCYP1B1MAOB
SCHEMBL3104199 0.77 DDAH1 (0.46) ALDH1A1KDM4EDDAH1KMT2AMEN1
SCHEMBL11762040 0.75 KDM4E (0.50) ALDH1A1KDM4EDDAH1KMT2AMEN1
SCHEMBL9508825 0.74 DDAH1 (0.69) ALDH1A1KDM4EDDAH1KMT2AMEN1
SCHEMBL3098671 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL28124986 0.71 MAOB (0.44) ALDH1A1KDM4EDDAH1KMT2AMEN1

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 2280/4885DDAH1 1103/4885

“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.