SCHEMBL20465166

SCHEMBL20465166

COc1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.53
CYP19A1 P11511 1/20 0.47
CYP2A6 P11509 1/20 0.42
AHR P35869 1/20 0.42
NR4A2 P43354 1/20 0.42
AXL P30530 1/20 0.42
IDO1 P14902 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NOS1 P29475 1/20 0.40
METAP2 P50579 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CNR2 P34972 1/20 0.39
IDH1 O75874 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL826338 0.78 FLT3 (0.51) FLT3CYP2A6AXLMEN1KMT2A
SCHEMBL27948497 0.77 CYP2A6 (0.58) CYP2A6AXLHRH4MEN1KMT2A
SCHEMBL15690453 0.75 FLT3 (0.51) FLT3CYP19A1HRH4HRH3IDH1
SCHEMBL3381954 0.75 FLT3 (0.48) FLT3CYP19A1CYP2A6AHRNR4A2
SCHEMBL29056767 0.74 FLT3 (0.47) FLT3CYP19A1CYP2A6AHRNR4A2
SCHEMBL29614783 0.74 KDM4E (0.53) FLT3CYP2A6MEN1KMT2ALOXL2
SCHEMBL827599 0.74 KDM4E (0.53) FLT3CYP2A6MEN1KMT2ALOXL2
SCHEMBL10246 0.74 CYP2A6 (0.59) FLT3CYP19A1CYP2A6AHRNR4A2
SCHEMBL18886841 0.73 GABRA1 (0.46) FLT3HRH4HRH3PDGFRBKDM4E
SCHEMBL21812417 0.73 CYP19A1 (0.55) FLT3CYP19A1CYP2A6AHRNR4A2

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-20180222860-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
CN-106928121-A The high efficiency preparation method of 3- substitution-benzo five-membered heterocycle -2- carbonyls 暨南大学 2017-07-07 CN 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-20180222860-A1 MODULATORS OF ROR-GAMMA RORB, RORC, RORA FLT3 1365/4885CYP19A1 317/4885CYP2A6 309/4885

“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.