SCHEMBL1960593

SCHEMBL1960593

Clc1ccc(Sc2c[nH]nc2-c2ccccc2-c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
KCNH2 Q12809 1/20 0.55
METAP2 P50579 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NR0B1 P51843 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1961617 0.89 FAAH (0.62) FAAHKCNH2METAP2CD274LMNA
SCHEMBL1960591 0.86 FAAH (0.60) FAAHKCNH2METAP2LMNATP53
SCHEMBL1960589 0.71 FAAH (1.00) FAAHKCNH2METAP2LMNAMEN1
SCHEMBL18292494 0.71 ALOX12 (0.59) PDCD1CD274LMNATP53MEN1
SCHEMBL14456067 0.70 HSP90AA1 (0.48) FAAHKCNH2PDCD1CD274LMNA
SCHEMBL3241468 0.68 TGFBR1 (0.47) LMNATP53MEN1NPC1USP2
SCHEMBL22258395 0.68 GAA (0.44) PDCD1CD274LMNATP53MEN1
SCHEMBL5274994 0.67 HSP90AA1 (0.64) PDCD1CD274LMNATP53MEN1
SCHEMBL1964004 0.67 MAPK13 (0.43) FAAHKCNH2LMNAMEN1MAPT
SCHEMBL1959437 0.67 NPSR1 (0.43) FAAHKCNH2LMNATP53MEN1

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP claimed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US claimed
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 FAAH 1/4885KCNH2 930/4885METAP2 2111/4885

“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.