SCHEMBL1964398

SCHEMBL1964398

CCn1ncc(Sc2ccc(Cl)cc2)c1-c1ccc2cc(C(=O)OC)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
P2RX3 P56373 4/20 0.36
FAAH O00519 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12552411 0.89 P2RX3 (0.38) P2RX3FAAHABL1LCKMRGPRX4
SCHEMBL1963193 0.81 FAAH (0.47) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL7992245 0.81 ABL1 (0.34) ALDH1A1KDM4EMAPTHPGDP2RX3
SCHEMBL1961529 0.77 FAAH (0.48) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL740718 0.71 LCK (0.55) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL8002482 0.71 SMN1; SMN2 (0.37) LMNAMAPTP2RX3FAAHLCK
SCHEMBL7992244 0.70 FAAH (0.37) FAAHABL1
SCHEMBL20878463 0.69 MAP3K5 (0.53) ABL1LCK
SCHEMBL6097630 0.67 LCK (0.55) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL8004695 0.67 ABL1 (0.38) ALDH1A1LMNAMAPTNPSR1FAAH

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 ALDH1A1 1185/4885KDM4E 1303/4885LMNA 2901/4885

“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.