SCHEMBL3972652

SCHEMBL3972652

CN(C(=O)O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
HCAR3 P49019 5/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4C Q9H3R0 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3972651 1.00 MAPT (0.51) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL585142 0.90 HCAR3 (0.47) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL585141 0.90 HCAR3 (0.47) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL4967065 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL584692 0.87 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL584693 0.87 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL5429501 0.83 HCAR3 (0.42) MAPTALDH1A1SMN1; SMN2HCAR3NPSR1
SCHEMBL5432649 0.83 HCAR3 (0.42) MAPTALDH1A1SMN1; SMN2HCAR3NPSR1
SCHEMBL5432643 0.83 HCAR3 (0.42) MAPTALDH1A1SMN1; SMN2HCAR3NPSR1
SCHEMBL5429492 0.83 HCAR3 (0.42) MAPTALDH1A1SMN1; SMN2HCAR3NPSR1

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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-7501447-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2006-09-14 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 (3 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 MAPT 3892/4885ALDH1A1 165/4885SMN1; SMN2 1109/4885
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 MAPT 3719/4885ALDH1A1 429/4885SMN1; SMN2 1517/4885
US-20060205802-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof H1-3, CYP2C19, CYP3A4 MAPT 3771/4885ALDH1A1 370/4885SMN1; SMN2 1521/4885

“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.