SCHEMBL1960973

SCHEMBL1960973

N#Cc1n[nH]cc1Sc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
CYP2D6 P10635 2/20 0.44
ERBB2 P04626 1/20 0.41
HAO1 Q9UJM8 2/20 0.40
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RHEB Q15382 2/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL1959210 0.78 MAOA (0.57) MEN1KMT2AMAOAMAOBCYP1A2
SCHEMBL17926754 0.70
SCHEMBL1964004 0.69 MAPK13 (0.43) MEN1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL1959437 0.69 NPSR1 (0.43) MEN1KMT2AHPGDMAPTHAO1
SCHEMBL12581494 0.67 NPSR1 (0.36) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL28290360 0.67
SCHEMBL8002419 0.66 HTR1A (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27392337 0.66
SCHEMBL11277911 0.66 CYP1A2 (0.61) MEN1KMT2AMAOAMAOBCYP1A2
SCHEMBL5788515 0.65 MAOB (1.00) MEN1KMT2AMAOAMAOBCYP1A2

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 MEN1 3407/4885KMT2A 1541/4885MAOA 79/4885

“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.