SCHEMBL10025484

SCHEMBL10025484

CNc1cc(CCCN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.41
BDKRB1 P46663 3/20 0.39
BDKRB2 P30411 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HCAR3 P49019 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37
CCR6 P51684 1/20 0.37
KAT2B Q92831 1/20 0.36

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
SCHEMBL28188446 0.83 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL14159396 0.83 MAPT (0.46) MAPTKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2470925 0.80 TSHR (0.49) MAPTKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13680343 0.77 MAPT (0.51) MAPTKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9671862 0.75 KCNH2 (0.44) SMN1; SMN2ALDH1A1NPSR1POLB
SCHEMBL13785257 0.73 MAPT (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL19926298 0.72 HCAR3 (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL11132823 0.72 KCNH2 (0.57) MAPT
SCHEMBL12286368 0.72 ALDH1A1 (0.52) MAPTKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL22702664 0.72 MEN1 (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L MAPT 4862/4885KMT2A 2381/4885SMN1; SMN2 974/4885

“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.