SCHEMBL17634166

SCHEMBL17634166

FC(F)(F)c1ccc(C2CSc3ccccc3N2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
NPC1 O15118 1/20 0.68
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYBB P04839 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
HTR2C P28335 2/20 0.37
HDAC11 Q96DB2 1/20 0.36
ESR1 P03372 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.33
TSHR P16473 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
SCHEMBL3624232 0.82 MEN1 (0.96) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL17634290 0.82 MEN1 (0.44) MEN1KMT2ANPC1PARP1PARP2
SCHEMBL17633639 0.82 MEN1 (0.44) MEN1KMT2ANPC1PARP1PARP2
SCHEMBL17633652 0.81 MEN1 (0.43) MEN1KMT2ANPC1PARP1PARP2
SCHEMBL16928582 0.80 MEN1 (0.73) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL15508303 0.80 MEN1 (0.73) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3623833 0.75 MEN1 (0.57) MEN1KMT2ANPC1
SCHEMBL7287889 0.75 MAPT (0.47) MEN1KMT2ANPC1PARP1PARP2
SCHEMBL14722038 0.74 PARP1 (0.67) MEN1KMT2APARP1PARP2ALDH1A1
SCHEMBL29746286 0.72 PARP1 (0.53) MEN1KMT2APARP1PARP2ALDH1A1

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 5 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

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 MEN1 4300/4885KMT2A 940/4885NPC1 525/4885

“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.