SCHEMBL12035960

SCHEMBL12035960

O=CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.60
▸ KCNMA1 Q12791 4/20 0.58
▸ TRPV1 Q8NER1 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL16235767 0.83 APP (0.69) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL16235764 0.83 APP (0.69) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL27599839 0.82 APP (0.65) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL10712446 0.81 MAPT (0.64) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL13379289 0.80 APP (0.66) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL6348671 0.79 APP (0.58) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL9365281 0.79 APP (0.58) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL1503974 0.79 APP (0.60) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL3308366 0.79 APP (0.64) APPKCNMA1TRPV1PKML3MBTL1
SCHEMBL3308373 0.79 APP (0.64) APPKCNMA1TRPV1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 APP 1695/4885KCNMA1 3520/4885TRPV1 2930/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R APP 3696/4885KCNMA1 2011/4885TRPV1 2036/4885

“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.

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