SCHEMBL3308373

SCHEMBL3308373

O=C(O)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.64
▸ KCNMA1 Q12791 4/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TRPV1 Q8NER1 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ 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 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FLT1 P17948 1/20 0.47

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
SCHEMBL13379289 0.98 APP (0.66) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL3308366 0.97 APP (0.64) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL3308371 0.97 APP (0.64) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL1503974 0.88 APP (0.60) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL16235767 0.86 APP (0.69) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL16235764 0.86 APP (0.69) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL11610739 0.82 PKM (0.60) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL9365281 0.82 APP (0.58) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL10712446 0.81 MAPT (0.64) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL20537733 0.81 APP (0.63) APPKCNMA1L3MBTL1TRPV1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP 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 (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL APP 2721/4885KCNMA1 689/4885L3MBTL1 1698/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 APP 3037/4885KCNMA1 1457/4885L3MBTL1 985/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 APP 3583/4885KCNMA1 1554/4885L3MBTL1 1605/4885

“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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