SCHEMBL17544949

SCHEMBL17544949

O=C(O)NCc1nnc(S)n1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ENPP2 Q13822 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.39
PDE6D O43924 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL17544747 0.82 GRM2 (0.45) TP53MAPTLMNAENPP2POLB
SCHEMBL17544579 0.81 ALDH1A1 (0.56) TP53MAPTLMNAALDH1A1POLB
SCHEMBL6405413 0.76 GAA (0.59) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL17544950 0.71 MEN1 (0.39) MAPTLMNAALDH1A1POLBMEN1
SCHEMBL2553685 0.71 HTT (0.65) TP53LMNAALDH1A1POLBMEN1
SCHEMBL17966830 0.71 TP53 (0.76) TP53MAPTLMNAENPP2POLB
SCHEMBL1104406 0.68 MEN1 (0.55) TP53MAPTLMNAALDH1A1MEN1
SCHEMBL14204157 0.67 THRB (0.39) TP53MAPTLMNAALDH1A1POLB
SCHEMBL20497349 0.67 HTT (0.59) TP53LMNAALDH1A1POLBKMT2A
SCHEMBL184560 0.67 HTT (0.59) TP53LMNAALDH1A1POLBKMT2A

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 TP53 190/4885MAPT 4137/4885LMNA 1590/4885

“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.