SCHEMBL5734347

SCHEMBL5734347

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.68
CASP6 P55212 1/20 0.62
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
POLB P06746 1/20 0.51
ERN1 O75460 1/20 0.51
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL30863327 0.88 VCAM1 (0.66) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30443852 0.86 TSHR (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL531728 0.86 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL29433264 0.86 XDH (0.61) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL559830 0.86 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL13858799 0.86 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL193275 0.86 TSHR (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL4753199 0.86 VCAM1 (0.60) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL223930 0.86 XDH (0.61) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30525281 0.86 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA

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
EP-0414055-B1 Acid modified polyarylenesulfides BAYER AG (DE) 1995-10-11 EP claimed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-9107411-B2 Indolecarboxamides and benzimidazolecarboxamides as insecticides and acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
US-20140088167-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO disclosed
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 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 (2 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-20140088167-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES AADAC, DDT, AANAT VCAM1 4875/4885CASP6 1644/4885HPGD 3187/4885
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 VCAM1 4165/4885CASP6 1025/4885HPGD 3628/4885

“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.