SCHEMBL3895684

SCHEMBL3895684

O=C(O)c1cccc2cc([N+](=O)[O-])cc(C(=O)OC(=O)c3cc([N+](=O)[O-])cc4cccc(C(=O)O)c34)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 2/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ PTGES O14684 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAOA P21397 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
SCHEMBL11428771 0.90 CLTC (0.50) CLTCPTPN1TP53AKR1C4AKR1C3
SCHEMBL9684699 0.87 ALDH1A1 (0.42) PTPN1TP53ALOX5TDP1CTSV
SCHEMBL9077636 0.79 CDK2 (0.47) PTPN1ALOX5PTGESTSHRTDP1
SCHEMBL11505795 0.78 PTPN1 (0.47) CLTCPTPN1TP53AKR1C4AKR1C3
SCHEMBL24837592 0.77 CLTC (0.47) CLTCPTPN1TP53AKR1C4AKR1C3
SCHEMBL30247949 0.77 CLTC (0.47) CLTCPTPN1TP53AKR1C4AKR1C3
SCHEMBL23409361 0.77 CLTC (0.47) CLTCPTPN1TP53AKR1C4AKR1C3
SCHEMBL11420063 0.77 ALDH1A1 (0.49) PTPN1TP53TDP1CTSVCTSL
SCHEMBL301592 0.77 HSD17B10 (0.62) PTPN1HSD17B10TSHRTDP1ALDH1A1
SCHEMBL9362663 0.77 HSD17B10 (0.46) PTPN1HSD17B10TDP1ALDH1A1MAPT

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
CN-112724349-B Polymer and use thereof 立邦涂料(中国)有限公司 2024-07-05 — — CN claimed
CN-114415472-B Photosensitive resin composition containing polyimide precursor 上海玟昕科技有限公司 2023-08-04 — — CN disclosed
CN-114442431-B Photosensitive resin composition containing polyimide precursor 上海玟昕科技有限公司 2023-08-04 — — CN disclosed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN disclosed
US-7553336-B2 Brightening direct dyes for keratin fibers and colorants containing these compounds WELLA AG (DE) 2009-06-30 — — US disclosed
US-7544215-B2 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds WELLA AG (DE) 2009-06-09 — — US disclosed
US-20070151046-A1 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds Wella GmbH (DE) 2007-07-05 — — US disclosed
US-20070119000-A1 Brightening direct dyes for keratin fibers and colorants containing these compounds WELLA AG (DE) 2007-05-31 — — US disclosed
US-6664263-B2 Potent unsymmetrical DNA bifunctional intercalators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-16 — — US disclosed
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY HEALTH AND HUMAN SERVICES, THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEARTMENT OF 2003-10-30 — — US disclosed
EP-1265898-B1 1,8-NAPHTHALIMIDE IMIDAZO 4,5,1- i de /i ]ACRIDONES WITH ANTI-TUMOR ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2003-09-24 — — 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-20070119000-A1 Brightening direct dyes for keratin fibers and colorants containing these compounds KRT18, MKI67, TUBB1 CLTC 871/4885PTPN1 4666/4885TP53 2124/4885
US-20070151046-A1 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds KRT18, NUP205, KPNA1 CLTC 1029/4885PTPN1 3738/4885TP53 902/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 CLTC 4320/4885PTPN1 561/4885TP53 35/4885

“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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