SCHEMBL14523935

SCHEMBL14523935

COC(=O)Nc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SLC2A1 P11166 1/20 0.48
HDAC1 Q13547 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL14116634 0.90 MAPT (0.43) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL4968403 0.88 MAPT (0.56) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL4968406 0.88 MAPT (0.56) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL6712490 0.83 MAPT (0.51) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL14116635 0.82 TERT (0.44) MAPTALDH1A1GAA
SCHEMBL6713011 0.80 MCHR1 (0.54) MAPTLMNAKMT2AMEN1POLB
SCHEMBL14523950 0.80 MAPT (0.48) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL14116494 0.80 MAPT (0.48) MAPTRAB9ALMNAKMT2AMEN1
SCHEMBL13876933 0.78 KMT2A (0.51) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL28183332 0.78 HCAR3 (0.65) MAPTKMT2AMEN1ALDH1A1HDAC1

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
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 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 (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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 MAPT 4445/4885RAB9A 2415/4885LMNA 2120/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 MAPT 3892/4885RAB9A 1991/4885LMNA 1900/4885

“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.