SCHEMBL17544580

SCHEMBL17544580

CSc1nnc(N(C)C(=O)O)n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 3/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
CPB1 P15086 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL17544950 0.82 MEN1 (0.39) ALDH1A1KDM4ETSHRMAPTPOLB
SCHEMBL17544579 0.74 ALDH1A1 (0.56) PDE6DALDH1A1MAPTPOLBMEN1
SCHEMBL17544762 0.70 CYP3A4 (0.42) PDE6DALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL17549944 0.67 ALDH1A1 (0.51) PDE6DALDH1A1TSHRMAPTPOLB
SCHEMBL10921216 0.65 CYP1A2 (0.43) ALDH1A1KDM4ETSHRPOLBHPGD
SCHEMBL28174160 0.62 HTT (0.43) ALDH1A1MAPTLMNA
SCHEMBL8280009 0.62 RGS4 (0.50) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL21333131 0.61 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL2095324 0.61 GAA (0.44) MAPTKMT2ACYP1A2CYP2C19
SCHEMBL21332975 0.60 POLB (0.44) ALDH1A1SMN1; SMN2KDM4ETSHRMAPT

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 PDE6D 3573/4885ALDH1A1 802/4885SMN1; SMN2 3889/4885

“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.