SCHEMBL17633645

SCHEMBL17633645

Fc1cccc2c1OC(c1ccc(C(F)(F)F)cc1)CN2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HTR2C P28335 2/20 0.35
HTR1A P08908 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CSF1R P07333 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL17633717 0.85 MEN1 (0.40) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL17633802 0.85 MEN1 (0.40) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL17634131 0.79 NISCH (0.49) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL17634312 0.75 CHRNB2 (0.34) HTR1ACHRNB2CHRNA4
SCHEMBL17633658 0.73 MAOB (0.38) KMT2AMEN1GAAMAPTHTR2C
SCHEMBL17633636 0.73 MAOB (0.41) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL5021639 0.72 HTR2C (0.41) PARP1PARP2HTR2C
SCHEMBL10242078 0.72 HTR2C (0.41) PARP1PARP2HTR2C
SCHEMBL17633643 0.72 MAPT (0.40) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL17634134 0.71 PARP1 (0.53) KMT2AMEN1GAAMAPTALDH1A1

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 KMT2A 940/4885MEN1 4300/4885GAA 50/4885

“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.