SCHEMBL6284789

SCHEMBL6284789

Cc1ccc([N+](=O)[O-])c(N2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR6 P50406 1/20 0.51
RECQL P46063 1/20 0.49
GRM5 P41594 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRB1 P08588 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 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
SCHEMBL136072 0.82 LMNA (0.59) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL952111 0.82 POLB (0.58) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL141535 0.81 ALDH1A1 (0.51) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL13405755 0.80 MAPT (0.61) MAPTALDH1A1MAPK1POLBTDP1
Bromide SCHEMBL3542156 0.79 MAPT (0.60) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL9689496 0.79 MAPT (0.46) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL14377339 0.78 ALDH1A1 (0.51) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL3715234 0.76 GRM5 (0.46) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL9014675 0.76 ADRB1 (0.49) ALDH1A1RECQLADRB1CYP1A2
SCHEMBL513428 0.75 GRM5 (0.60) MAPTALDH1A1MAPK1POLBTDP1

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-6864261-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2005-03-08 US disclosed
US-20040053914-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-18 US disclosed
WO-2003093236-A1 1-(PYRID-2-YL)-PIPERAZINE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR INHIBITOR EURO-CELTIQUE, S.A. (LU) 2003-11-13 WO 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-20040053914-A1 Therapeutic agents useful for treating pain SMN1; SMN2, OPRM1, PSEN1 MAPT 5/4885ALDH1A1 416/4885MAPK1 1539/4885

“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.