SCHEMBL17633642

SCHEMBL17633642

FC(F)(F)c1ccc(C2CNc3ccc(Br)cc3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL17634310 0.83 ESR2 (0.42) ESR2HDAC4TRPV4KCNH2PSEN1
SCHEMBL17633657 0.81 ESR2 (0.43) ESR2ADRA2APNMTHDAC8
SCHEMBL31707949 0.74 PKM (0.47)
SCHEMBL20757589 0.70 TRPV4 (0.46) HDAC4TRPV4SLC6A3KCNH2TAAR1
SCHEMBL31484342 0.70 TRPV4 (0.46) HDAC4TRPV4SLC6A3KCNH2TAAR1
SCHEMBL2343488 0.69 ESR2 (0.40) ESR2SLC6A3
SCHEMBL25920490 0.65 HRH3 (0.47) HDAC4TRPV4
SCHEMBL17634248 0.65 PARP1 (0.45) HDAC4TRPV4SLC6A3KCNH2TAAR1
SCHEMBL25145866 0.65 HTR2C (0.57) TRPV4KCNH2
SCHEMBL15650246 0.65 HTR2A (0.49)

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-2016045127-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016049099-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 170/4885ADRA2A 2207/4885PNMT 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.