SCHEMBL4573533

SCHEMBL4573533

CCOC(=O)C(C#N)c1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2430950 0.91 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30484131 0.85 KMT2A (0.42) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25300687 0.85 KMT2A (0.42) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9655014 0.85 AKR1C3 (0.44) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9655005 0.85 AKR1C3 (0.44) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6646794 0.84 L3MBTL1 (0.47) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6646756 0.84 KMT2A (0.47) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL8814509 0.84 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4082665 0.83 ALDH1A1 (0.54) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7677183 0.81 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8019095-B2 1996-02-28 JP claimed
EP-0302874-B1 INDOLOQUINONE COMPOUNDS SPECKAMP, Willem Nico (NL) 1992-12-02 EP claimed
EP-0302874-A1 INDOLOQUINONE COMPOUNDS. SPECKAMP WILLEM NICO (NL) 1989-02-15 EP claimed
WO-1987006227-A2 INDOLOQUINONE COMPOUNDS JOUHAR AKBAR JAN (GB) 1987-10-22 WO claimed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
WO-1997023456-A1 INDOLOQUINONE DERIVATIVES AS BIOREDUCTIVE AGENTS BRITISH TECHNOLOGY GROUP LTD. (GB) 1997-07-03 WO disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
EP-0302874-B1 INDOLOQUINONE COMPOUNDS SPECKAMP, Willem Nico (NL) 1992-12-02 EP disclosed
US-5079257-A Antitumor Agents SPECTRUM PHARMACEUTICALS, INC. 1992-01-07 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL MAPT 1472/4885LMNA 2445/4885SMN1; SMN2 3097/4885

“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.