SCHEMBL17544950

SCHEMBL17544950

CN(C(=O)O)c1nnc(S)n1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2D6 P10635 2/20 0.36
CASP7 P55210 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL17544580 0.82 PDE6D (0.40) MEN1KMT2APOLBTSHRCYP1A2
SCHEMBL17544949 0.71 TP53 (0.40) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL17544747 0.65 GRM2 (0.45) MEN1KMT2AL3MBTL1POLBTSHR
SCHEMBL1104406 0.65 MEN1 (0.55) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL2095324 0.62 GAA (0.44) KMT2ATDP1CYP1A2CYP2C19MAPT
SCHEMBL14204147 0.62 NOTUM (0.43) POLBTSHRHSD17B10HPGDKDM4E
SCHEMBL21332975 0.61 POLB (0.44) MEN1KMT2AL3MBTL1POLBTDP1
SCHEMBL12039097 0.60 RIPK1 (0.58) KMT2APOLBTDP1ALDH1A1LMNA
SCHEMBL11380650 0.60 SMN1; SMN2 (0.41) KMT2ATSHRHSD17B10HPGDKDM4E
SCHEMBL10480363 0.59 KDM4E (0.51) MEN1KMT2APOLBTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 MEN1 3634/4885KMT2A 34/4885L3MBTL1 600/4885

“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.