SCHEMBL9689325

SCHEMBL9689325

COC(=O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 3/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL1843975 0.89 ALDH1A1 (0.59) MAPTL3MBTL1KMT2ANPC1RAB9A
SCHEMBL1843232 0.85 MAPT (0.68) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL15687598 0.85 POLB (0.61) MAPTL3MBTL1CA1CA2KMT2A
SCHEMBL30202595 0.85 POLB (0.58) MAPTL3MBTL1CA1CA2KMT2A
SCHEMBL28515255 0.85 POLB (0.58) MAPTL3MBTL1CA1CA2KMT2A
SCHEMBL7164868 0.84 MAPT (0.84) MAPTL3MBTL1KMT2ANPC1RAB9A
SCHEMBL2879386 0.84 MAPT (0.60) MAPTL3MBTL1KMT2ANPC1RAB9A
SCHEMBL5361493 0.83 MAPT (0.70) MAPTL3MBTL1KMT2ASMN1; SMN2HPGD
SCHEMBL9687209 0.83 MAPT (0.53) MAPTL3MBTL1KMT2ANPC1RAB9A
SCHEMBL9688910 0.83 HTR6 (0.53) MAPTL3MBTL1CA1CA2KMT2A

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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 MAPT 1614/4885L3MBTL1 4513/4885CA1 1653/4885

“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.