SCHEMBL425072

SCHEMBL425072

COc1ccc(-c2cn(C(=O)N(C)C3CCN(/C(N)=N/O)CC3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
FAAH O00519 1/20 0.45
CES2 O00748 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NEK2 P51955 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
SCHEMBL425090 0.90 MCHR1 (0.48) MCHR1FAAHCES2SMN1; SMN2RAB9A
SCHEMBL426222 0.87 MCHR1 (0.49) MCHR1FAAHCES2GPR119HTT
SCHEMBL16439285 0.86 MCHR1 (0.48) MCHR1FAAHCES2GPR119HTT
SCHEMBL425965 0.83 FAAH (0.61) MCHR1FAAHCES2RAB9AHSP90AA1
SCHEMBL525591 0.83 GPR119 (0.59) GPR119HTTTSHRKDM4EALDH1A1
SCHEMBL425992 0.82 FAAH (0.62) MCHR1FAAHCES2SMN1; SMN2RAB9A
SCHEMBL428068 0.82 FAAH (0.46) MCHR1FAAHCES2GRIN1GRIN2B
SCHEMBL426170 0.82 FAAH (0.48) MCHR1FAAHCES2GRIN1GRIN2B
SCHEMBL425470 0.81 FAAH (0.47) MCHR1FAAHCES2
SCHEMBL427488 0.81 FAAH (0.49) MCHR1FAAHCES2HTTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 MCHR1 2099/4885FAAH 1/4885CES2 62/4885

“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.