SCHEMBL4725404

SCHEMBL4725404

CCOCCCOc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
NCF1 P14598 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR5A P47898 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 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
SCHEMBL9668507 0.96 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EPOLBRAB9A
SCHEMBL2449865 0.91 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1KDM4ENCF1MEN1
SCHEMBL10710501 0.88 LTA4H (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL7274140 0.85 LTA4H (0.40) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL991125 0.84 LTA4H (0.42) ALDH1A1HPGDTDP1L3MBTL1MAPK1
SCHEMBL49991 0.83 LTA4H (0.46) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL9113345 0.83 LTA4H (0.34) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL7861358 0.83 LTA4H (0.41) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7157592 0.83 RARB (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL9668765 0.83 LTA4H (0.41) ALDH1A1HPGDHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
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
US-4845099-A ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0190444-B1 OPTICAL-RECORDING MEDIUM BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0263480-A1 Tetrahydroquinoline derivatives, method for their preparation, their use and pharmaceutical compositions containing them CASSELLA Aktiengesellschaft (DE) 1988-04-13 EP disclosed
EP-0190444-A1 Optical-recording medium BASF Aktiengesellschaft (DE) 1986-08-13 EP 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 SMN1; SMN2 478/4885ALDH1A1 260/4885KDM4E 2254/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 SMN1; SMN2 550/4885ALDH1A1 394/4885KDM4E 793/4885

“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.