SCHEMBL1961617

SCHEMBL1961617

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.62
KCNH2 Q12809 1/20 0.62
MAP2K4 P45985 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TERT O14746 2/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 2/20 0.41
METAP2 P50579 2/20 0.40
MAOB P27338 1/20 0.40
ALOX5 P09917 1/20 0.40
HSP90AA1 P07900 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1960591 0.95 FAAH (0.60) FAAHKCNH2MAP2K4ALDH1A1LMNA
SCHEMBL1960593 0.89 FAAH (0.55) FAAHKCNH2MAP2K4ALDH1A1LMNA
SCHEMBL1959437 0.74 NPSR1 (0.43) FAAHKCNH2ALDH1A1LMNAHPGD
SCHEMBL1964004 0.74 MAPK13 (0.43) FAAHKCNH2ALDH1A1LMNAKDM4E
SCHEMBL1960589 0.74 FAAH (1.00) FAAHKCNH2ALDH1A1LMNAKDM4E
SCHEMBL12581494 0.72 NPSR1 (0.36) FAAHKCNH2ALDH1A1LMNAKDM4E
SCHEMBL1959210 0.71 MAOA (0.57) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL14456067 0.71 HSP90AA1 (0.48) FAAHKCNH2MAP2K4ALDH1A1LMNA
SCHEMBL1962450 0.70 PARP10 (0.51) MAOB
SCHEMBL11937879 0.69 MAPT (0.52) LMNAKDM4ENOTUMTP53ALOX5

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 5 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
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
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US 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 930/4885MAP2K4 1485/4885

“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.