SCHEMBL4966338

SCHEMBL4966338

O=C(O)Nc1ccc(NCC2COCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 11/20 0.53
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL4966333 1.00 HCAR3 (0.54) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25367390 0.89 HCAR3 (0.64) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25367385 0.89 HCAR3 (0.64) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14116497 0.89 MAPT (0.54) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20798381 0.85 HCAR3 (0.74) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20798382 0.85 HCAR3 (0.74) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3922767 0.82 HCAR3 (0.50) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3922764 0.82 HCAR3 (0.50) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4965461 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL28846345 0.82 KMT2A (0.75) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A

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-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 HCAR3 628/4885ALDH1A1 642/4885SMN1; SMN2 1918/4885

“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.