SCHEMBL1232142

SCHEMBL1232142

OCc1cccc(Br)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.38
GABRA1 P14867 3/20 0.37
TAAR1 Q96RJ0 3/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
GABRB2 P47870 2/20 0.36
IDO1 P14902 2/20 0.35
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL29790993 1.00 APOBEC3G (0.38) APOBEC3GGABRA1TAAR1GABRG2GABRB3
SCHEMBL6525315 0.86 APOBEC3G (0.35) APOBEC3GGABRA1TAAR1GABRG2GABRB3
SCHEMBL1046232 0.85 GABRA1 (0.42) GABRA1TAAR1GABRG2GABRB3GABRB2
SCHEMBL1294030 0.85 GABRA1 (0.46) APOBEC3GGABRA1TAAR1GABRG2GABRB3
SCHEMBL27388 0.82 APOBEC3G (0.46) APOBEC3GGABRA1GABRG2GABRB3HDAC3
SCHEMBL2729500 0.81 ALDH1A1 (0.43) APOBEC3GGABRA1TAAR1HDAC3HDAC1
Benzene SCHEMBL7199484 0.79 PDCD1 (0.46) APOBEC3GGABRA1GABRG2GABRB3HDAC3
SCHEMBL10193936 0.79 KDM4E (0.34) APOBEC3GGABRA1GABRG2GABRB3HDAC3
SCHEMBL608328 0.78 GABRA1 (0.42) APOBEC3GGABRA1TAAR1PDCD1CD274
SCHEMBL6942317 0.78 APOBEC3G (0.39) APOBEC3GGABRA1TAAR1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317287-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-31 EP disclosed
EP-3317287-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-31 EP disclosed
US-10239894-B2 Inhibitors of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-26 US disclosed
US-10239894-B2 Inhibitors of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-26 US disclosed
US-20180298035-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
WO-2017002078-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-05 WO disclosed
WO-2011022337-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-24 WO 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-20180298035-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT APOBEC3G 305/4885GABRA1 3162/4885TAAR1 1806/4885
US-10239894-B2 Inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT APOBEC3G 305/4885GABRA1 3162/4885TAAR1 1806/4885

“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.