SCHEMBL1963570

SCHEMBL1963570

O=C(NCCO)c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
FAAH O00519 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM5B Q9UGL1 1/20 0.49
AURKA O14965 6/20 0.49
DRD2 P14416 1/20 0.48
KCNH2 Q12809 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGES O14684 2/20 0.46
CDK2 P24941 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL1535253 0.92 MAPT (0.53) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1964814 0.89 MAPT (0.54) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1961190 0.88 MAPT (0.57) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1535172 0.85 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1962085 0.85 MEN1 (0.61) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1535178 0.83 FAAH (0.59) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1960741 0.82 FAAH (0.56) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1535304 0.82 FAAH (0.56) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1964011 0.77 FAAH (0.64) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1535225 0.77 FAAH (0.59) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 MAPT 878/4885KDM4E 1303/4885ALDH1A1 1185/4885

“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.