SCHEMBL1964004

SCHEMBL1964004

Clc1ccc(Sc2c[nH]nc2-c2ccc(I)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.43
GCGR P47871 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
HAO1 Q9UJM8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.34
KCNH2 Q12809 2/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
RHEB Q15382 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL1959437 0.85 NPSR1 (0.43) GCGRMAPK14HAO1MEN1KMT2A
SCHEMBL12581494 0.82 NPSR1 (0.36) HAO1MEN1KMT2AALDH1A1LMNA
SCHEMBL1959210 0.81 MAOA (0.57) HAO1MEN1KMT2AALDH1A1LMNA
SCHEMBL1961183 0.79 FAAH (0.55) FAAHKCNH2
SCHEMBL1962700 0.79 FAAH (0.35) HAO1MEN1KMT2AALDH1A1LMNA
SCHEMBL1960099 0.75 CYP2A6 (0.43) HAO1RXFP1KDM4EMAPTIDO1
SCHEMBL1960591 0.75 FAAH (0.60) ALDH1A1LMNANPSR1SMN1; SMN2FAAH
SCHEMBL1961617 0.74 FAAH (0.62) ALDH1A1LMNANPSR1SMN1; SMN2FAAH
SCHEMBL31393818 0.73 HAO1 (0.41) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL8148296 0.72 MAOA (0.52) HAO1MEN1KMT2AALDH1A1LMNA

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 MAPK13 2644/4885GCGR 1181/4885MAPK12 2616/4885

“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.