SCHEMBL1960072

SCHEMBL1960072

CCCC[Sn](CCCC)(CCCC)c1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 2/20 0.34
UBE2N P61088 3/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1961906 0.85 MAPT (0.40) L3MBTL1KDM4ECYP2C9TSHRMAPT
SCHEMBL1963427 0.83 KEAP1 (0.41) NOTUMTLR8MAPTGRM2FAAH
SCHEMBL1961281 0.82 ELOVL1 (0.37)
SCHEMBL20658934 0.81 CYP1A2 (0.30) CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1960092 0.77 NOTUM (0.35) KDM4ECYP1A2CYP2C9CYP2C19NOTUM
SCHEMBL1085974 0.73 CYP19A1 (0.42) KMT2AKDM4ENPC1RAB9ALMNA
SCHEMBL6078181 0.72 MGLL (0.35) LMNATSHRTLR8MGLL
SCHEMBL1960161 0.71 GRM5 (0.37) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3837457 0.69 SMPD1 (0.41) CYP1A2CYP2C9CYP2C19TLR8CYP19A1
SCHEMBL19207125 0.68 HTR7 (0.33) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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 KMT2A 1541/4885L3MBTL1 4394/4885KDM4E 1303/4885

“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.