SCHEMBL5530249

SCHEMBL5530249

Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
MAPT P10636 2/20 0.68
METAP1 P53582 1/20 0.68
KMT2A Q03164 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MEN1 O00255 1/20 0.61
KDM4E B2RXH2 1/20 0.61
PSMD14 O00487 1/20 0.61
APAF1 O14727 1/20 0.61
NCF1 P14598 5/20 0.60
ABCG2 Q9UNQ0 1/20 0.58
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
USP2 O75604 2/20 0.56
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL23363541 0.82 NCF1 (0.52) SMN1; SMN2MAPTMETAP1KMT2ANPSR1
SCHEMBL2628839 0.78 NPSR1 (0.58) SMN1; SMN2MAPTKMT2ANPSR1MEN1
SCHEMBL5065450 0.78 NCF1 (0.88) SMN1; SMN2MAPTKMT2ANPSR1MEN1
SCHEMBL6605546 0.78 NCF1 (0.57) SMN1; SMN2MAPTNCF1LMNAGAA
SCHEMBL6603576 0.78 NCF1 (0.53) SMN1; SMN2MAPTKMT2ANPSR1MEN1
SCHEMBL1646189 0.77 MEN1 (0.61) SMN1; SMN2MAPTKMT2AMEN1ADRB1
SCHEMBL6125246 0.76 NCF1 (0.75) SMN1; SMN2MAPTMETAP1KMT2ANPSR1
SCHEMBL30511704 0.76 NCF1 (0.97) SMN1; SMN2MAPTMETAP1KMT2ANPSR1
SCHEMBL5242692 0.76 KMT2A (0.71) SMN1; SMN2MAPTKMT2ANPSR1MEN1
SCHEMBL12952781 0.76 SIRT6 (0.71) SMN1; SMN2MAPTKMT2AMEN1ADRB1

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 SMN1; SMN2 1321/4885MAPT 1841/4885METAP1 4035/4885

“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.