SCHEMBL4384116

SCHEMBL4384116

O=C1NC(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc1c23

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
CASP6 P55212 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
CAPN9 O14815 1/20 0.46
CASP3 P42574 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.40
CA1 P00915 2/20 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
SCHEMBL1049959 0.87 NPSR1 (0.58) CYP3A4TDP1MEN1KMT2APOLB
SCHEMBL13292107 0.82 PTPRC (0.55) CYP3A4TDP1MEN1KMT2APOLB
SCHEMBL27006367 0.79 KMT2A (0.56) CYP3A4TDP1MEN1KMT2APOLB
SCHEMBL12568173 0.78 MEN1 (0.55) TDP1MEN1KMT2APOLBCASP6
SCHEMBL3276659 0.77 ALDH1A1 (0.59) TDP1MEN1KMT2APOLBCASP6
SCHEMBL151957 0.74 CYP3A4 (1.00) CYP3A4TDP1MEN1KMT2APOLB
SCHEMBL11064297 0.74 TDP1 (0.56) CYP3A4TDP1MEN1KMT2AMAPT
SCHEMBL7709452 0.74 MEN1 (0.58) TDP1MEN1KMT2APOLBCASP6
SCHEMBL27798142 0.73 CYP3A4 (0.96) CYP3A4TDP1MEN1KMT2APOLB
Methane SCHEMBL28326322 0.73 CYP3A4 (0.96) CYP3A4TDP1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749017-A A kind of synthetic method of 1,8 naphthalimides of 3,6 halogen atoms substitution 南昌大学 2017-05-31 CN claimed
US-4499266-A MICROBIOCIDES AND ANTICARCINOGENIC WARNER-LAMBERT COMPANY (US) 1985-02-12 US claimed
CN-106749017-B A kind of synthetic method for 1, the 8- naphthalimide that 3,6 halogen atoms replace 南昌大学 2019-05-24 CN disclosed
CN-106749017-A A kind of synthetic method of 1,8 naphthalimides of 3,6 halogen atoms substitution 南昌大学 2017-05-31 CN disclosed
EP-1626050-B1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES UNIV EAST CHINA SCIENCE & TECH (CN) 2009-12-02 EP disclosed
US-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-24 US disclosed
EP-1742920-A2 NAPHTHALIMIDE DERIVATIVES FOR THE TREATMENT OF CANCER Unibioscreen S.A. (BE) 2007-01-17 EP disclosed
WO-2005105753-A2 NAPHTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2005-11-10 WO disclosed
US-4499266-A MICROBIOCIDES AND ANTICARCINOGENIC WARNER-LAMBERT COMPANY (US) 1985-02-12 US disclosed
US-4499266-A MICROBIOCIDES AND ANTICARCINOGENIC WARNER-LAMBERT COMPANY (US) 1985-02-12 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-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM NPM1, NAPRT, NUTF2 CYP3A4 264/4885TDP1 2335/4885MEN1 2716/4885

“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.