SCHEMBL14739233

SCHEMBL14739233

Cn1c(-c2ccc(C(O)C(F)(F)F)cc2)c(Sc2ccc(Cl)cc2)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
SLC6A4 P31645 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
ENPP2 Q13822 3/20 0.32
FAAH O00519 1/20 0.32
TNKS O95271 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL14739561 0.77 MAPK13 (0.38) KDM4EPTGDR2SLC6A4ALDH1A1CYP1A2
SCHEMBL14738358 0.73 FAAH (0.45) KDM4EFAAHTNKSALDH1A1CYP1A2
SCHEMBL1303984 0.72 FAAH (0.61) FAAHCYP1A2CYP2C9L3MBTL1MEN1
SCHEMBL14738924 0.69 BRD4 (0.35) PTGDR2BRD4BRD2FAAHALDH1A1
SCHEMBL14739637 0.66 PTGDR2 (0.39) KDM4EPTGDR2SLC6A4TNKSALDH1A1
SCHEMBL14739634 0.66 PTGDR2 (0.39) KDM4EPTGDR2SLC6A4TNKSALDH1A1
SCHEMBL14753466 0.65 CCNB2 (0.42) KDM4EPTGDR2SLC6A4ALDH1A1CYP1A2
SCHEMBL14739401 0.65 MAPK13 (0.36) KDM4EFAAH
SCHEMBL1508521 0.64 TSHR (0.44) BRD4BRD2HPGDLMNA
SCHEMBL21508213 0.64 TSHR (0.44) BRD4BRD2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 KDM4E 307/4885PTGDR2 168/4885SLC6A4 264/4885

“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.