SCHEMBL17633657

SCHEMBL17633657

FC(F)(F)c1ccc(C2CNc3ccc(Br)cc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
HTR2C P28335 2/20 0.41
PNMT P11086 4/20 0.38
ADRA2A P08913 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CTSS P25774 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL17633642 0.81 ESR2 (0.39) ESR2PNMTADRA2AHDAC8
SCHEMBL17634083 0.80 ESR2 (0.47) ESR2HTR2CMEN1ALDH1A1GAA
SCHEMBL17634154 0.74 PARP1 (0.50) ESR2HTR2CPNMTADRA2ASLC6A4
SCHEMBL17634284 0.74 PARP1 (0.50) ESR2HTR2CPNMTADRA2ASLC6A4
SCHEMBL17633723 0.72 MEN1 (0.34) HTR2CMEN1ALDH1A1GAAMAPT
SCHEMBL17633662 0.72 PARP1 (0.35) HTR2CSLC6A4MEN1ALDH1A1GAA
SCHEMBL8352445 0.70 TSHR (0.53) HTR2CMEN1ALDH1A1GAAMAPK1
SCHEMBL17633641 0.69 CSF1R (0.35) HTR2CPNMTADRA2AMEN1ALDH1A1
SCHEMBL7420139 0.68 PNMT (0.45) HTR2CPNMTADRA2A
SCHEMBL22397460 0.68 PNMT (0.38) PNMTADRA2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016045127-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 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 (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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 ESR2 170/4885HTR2C 4234/4885PNMT 3099/4885

“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.