SCHEMBL6730754

SCHEMBL6730754

O=[N+]([O-])c1ccc(N2CCC(CCI)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIRT6 Q8N6T7 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
ADRB1 P08588 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL19221745 0.86 MAPT (0.53) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL19221744 0.86 MAPT (0.53) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL5206407 0.78 MAPT (0.51) MAPTHRH3MEN1KMT2AALDH1A1
SCHEMBL19221763 0.78 MAPT (0.56) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL5206416 0.78 MAPT (0.51) MAPTHRH3MEN1KMT2AALDH1A1
SCHEMBL25175455 0.77 MAPT (0.55) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL29104 0.77 MAPT (0.56) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL25189631 0.77 MEN1 (0.60) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL28619 0.77 HPGDS (0.52) MAPTHRH3MEN1KMT2ASIRT6
SCHEMBL27832 0.77 SIRT6 (0.59) MAPTHRH3MEN1KMT2ASIRT6

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-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 MAPT 4860/4885HRH3 139/4885MEN1 3372/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 MAPT 4865/4885HRH3 78/4885MEN1 3026/4885

“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.