SCHEMBL5879472

SCHEMBL5879472

O=[N+]([O-])c1ccc(Nc2cc[c]cc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ MAPT P10636 8/20 0.68
▸ MAPK1 P28482 4/20 0.68
▸ TDP1 Q9NUW8 6/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ POLB P06746 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ GFER P55789 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HCAR3 P49019 1/20 0.48
▸ CTSV O60911 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CASP7 P55210 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL6801880 0.90 MAPT (0.59) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL31098648 0.87 MEN1 (0.82) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL293916 0.84 MAPT (0.72) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL14359092 0.83 MAPT (0.73) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL16486952 0.83 L3MBTL1 (0.73) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL31715811 0.83 MAPT (0.73) MEN1KMT2AMAPTMAPK1TDP1
Water SCHEMBL22157648 0.82 MEN1 (0.69) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL2328147 0.81 MEN1 (0.73) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL8353349 0.81 MEN1 (1.00) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL243259 0.81 MEN1 (1.00) MEN1KMT2AMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981145-A CONTAINING A COPOLYMER OF MODIFIED HYDROXYSTYRENE MONOMER AND AN ETHYLENICALLY UNSATURATED MONOMER FREE OF AROMATIC RING, SUITABLE FOR ANTIREFLECTIVE COATING CLARIANT FINANCE (BVI) LIMITED (VG) 1999-11-09 — — US claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 — — US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 — — US claimed
US-7109215-B2 Compounds possessing neuronal activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-19 — — US disclosed
US-20020013351-A1 Compounds possessing neuronal activity VERTEX PHARMACEUTICALS INCORPORATED 2002-01-31 — — US disclosed
US-6268384-B1 DO NOT BIND TO FKBP, AND WHICH DO NOT HAVE MULTI-DRUG RESISTANCE REVERSAL ACTIVITY. VERTEX PHARMACEUTICALS INCORPORATED 2001-07-31 — — US disclosed
EP-1007521-A1 COMPOUNDS POSSESSING NEURONAL ACTIVITY Vertex Pharmaceuticals Incorporated (US) 2000-06-14 — — EP disclosed
WO-1999010340-A1 COMPOUNDS POSSESSING NEURONAL ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-03-04 — — WO disclosed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 — — US disclosed
US-4032532-A AZO DYES SANDOZ LTD. (CH) 1977-06-28 — — US disclosed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 — — 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-20020013351-A1 Compounds possessing neuronal activity BDNF, NGF, GAP43 MEN1 3557/4885KMT2A 4469/4885MAPT 261/4885

“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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