SCHEMBL18010677

SCHEMBL18010677

O=CNc1ccc2c(c1)OCC(=O)N2Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.55
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
SCN9A Q15858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PIK3CG P48736 1/20 0.46
TSHR P16473 1/20 0.45
HTR6 P50406 1/20 0.43

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
SCHEMBL18010773 0.88 MAPT (0.46) BRD4ITGB3ITGA2BSCN9AL3MBTL1
SCHEMBL18010765 0.84 TSHR (0.47) BRD4ITGB3ITGA2BTSHR
SCHEMBL18010768 0.83 RORC (0.51) BRD4ITGB3ITGA2BTSHR
SCHEMBL23768797 0.81 BRD4 (0.58) BRD4ITGB3ITGA2BSCN9AL3MBTL1
SCHEMBL755818 0.81 SCN9A (0.56) BRD4ITGB3ITGA2BSCN9AL3MBTL1
SCHEMBL19669647 0.81 ITGB3 (0.63) BRD4ITGB3ITGA2BSCN9AL3MBTL1
SCHEMBL18010670 0.81 PLA2G7 (0.41) BRD4ITGB3ITGA2BL3MBTL1
SCHEMBL18010855 0.81 CHRM5 (0.43) BRD4ITGB3ITGA2BTSHR
SCHEMBL18010673 0.81 RORC (0.39) BRD4ITGB3ITGA2BTSHR
SCHEMBL18497019 0.80 BRD4 (0.58) BRD4ITGB3ITGA2BSCN9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA BRD4 30/4885ITGB3 2497/4885ITGA2B 1477/4885

“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.