SCHEMBL19435615

SCHEMBL19435615

Cc1cc2cc(Br)cc(F)c2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.40
IDO1 P14902 1/20 0.36
DAO P14920 3/20 0.36
DDO Q99489 2/20 0.36
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ATAD2 Q6PL18 8/20 0.34
KMT2A Q03164 1/20 0.33
KCNA3 P22001 1/20 0.32

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
SCHEMBL12970080 0.84 BRD4 (0.43) BRD4DAODDOGRIN2DGRIN3B
SCHEMBL4007864 0.79 GRIN1 (0.38) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL22198970 0.79 HRH4 (0.45) BRD4DAODDOGRIN2DGRIN3B
SCHEMBL29267034 0.78 IDO1 (0.36) IDO1
SCHEMBL24610986 0.74 ALDH1A1 (0.52) KMT2A
SCHEMBL12970315 0.74 GRIN2D (0.47) BRD4DAODDOGRIN2DGRIN3B
SCHEMBL12970395 0.74 DAO (0.65) BRD4DAODDOHSD17B10ATAD2
SCHEMBL25377837 0.72 KDM4E (0.44) BRD4DAODDOGRIN2DGRIN3B
SCHEMBL30979292 0.72 KDM4E (0.44) BRD4DAODDOGRIN2DGRIN3B
SCHEMBL2171366 0.71 CA12 (0.55) IDO1DAODDOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 BRD4 1/4885IDO1 2665/4885DAO 4344/4885

“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.