SCHEMBL4776359

SCHEMBL4776359

O=C(O)N1CC=C(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
QDPR P09417 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CNR1 P21554 1/20 0.45
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43

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
SCHEMBL5376869 0.89 MAPT (0.50) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL15532362 0.84 QDPR (0.48) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL16422318 0.84 QDPR (0.51) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL19703157 0.82 NAMPT (0.53) QDPRCNR1
SCHEMBL28810912 0.82 QDPR (0.46) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4602817 0.81 ALDH1A1 (0.66) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL15556551 0.81 CNR1 (0.63) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL27225710 0.81 PTGDR2 (0.52) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL16874745 0.81 QDPR (0.58) MAPTALDH1A1LMNAHTTQDPR
SCHEMBL4941683 0.79 QDPR (0.46) MAPTALDH1A1LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 MAPT 2472/4885ALDH1A1 260/4885LMNA 2469/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 MAPT 3948/4885ALDH1A1 394/4885LMNA 2962/4885

“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.