SCHEMBL17875684

SCHEMBL17875684

COc1c(F)cc(Br)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TPMT P51580 1/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 2/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL10986 0.88 CA2 (0.41) HSD17B10CA2CA4ALOX15ALOX12
Iodomethane SCHEMBL4667431 0.84 HSD17B10 (0.38) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL301662 0.83 HSD17B10 (0.59) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL30407976 0.82 CA2 (0.46) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL4355782 0.82 CA2 (0.46) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL31456115 0.82 CA2 (0.46) HSD17B10CA2CA4TPMTTSHR
SCHEMBL31500460 0.80 ALOX15 (0.47) CA2CA4ALOX15ALOX12MAPT
SCHEMBL31063287 0.80 CA2 (0.45) HSD17B10CA2CA4MEN1KMT2A
SCHEMBL930657 0.80 KDM4E (0.40) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL26927713 0.80 ALOX15 (0.47) CA2CA4ALOX15ALOX12MAPT

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
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 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 (2 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2623/4885CA2 4396/4885CA4 4678/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2623/4885CA2 4396/4885CA4 4678/4885

“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.