SCHEMBL3032893

SCHEMBL3032893

CCCCCCCNC(=O)Cn1cnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 3/20 0.66
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.60
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL29795663 0.78 ASAH1 (0.97) ASAH1NPC1ALDH1A1
SCHEMBL3048347 0.78 KMT2A (0.47) ASAH1MAPK1SMN1; SMN2LMNAL3MBTL1
SCHEMBL26346015 0.77 KDM4E (0.75) SMN1; SMN2LMNAL3MBTL1KDM4ENPC1
SCHEMBL17309687 0.76 KDM4E (1.00) SMN1; SMN2LMNAL3MBTL1KDM4ENPC1
SCHEMBL595111 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT
SCHEMBL11408718 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT
SCHEMBL4888041 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT
SCHEMBL9038701 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT
SCHEMBL16097150 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT
SCHEMBL9038339 0.75 TDP1 (0.68) SMN1; SMN2LMNAL3MBTL1NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI ASAH1 4165/4885MAPK1 3431/4885SMN1; SMN2 2297/4885

“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.