SCHEMBL6674013

SCHEMBL6674013

O=[N+]([O-])c1cccc(-c2cnccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
IDO1 P14902 1/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
PDE4A P27815 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 2/20 0.53
PLK1 P53350 1/20 0.53
MAPT P10636 4/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA4 P43681 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL30461136 0.85 RAB9A (0.69) RAB9ANPC1IDO1BCHEACHE
SCHEMBL30461135 0.85 RAB9A (0.69) RAB9ANPC1IDO1BCHEACHE
SCHEMBL2460914 0.82 NPC1 (0.74) RAB9ANPC1PDE4APDE4CPDE4D
SCHEMBL29496951 0.81 NPC1 (0.67) RAB9ANPC1IDO1BCHEACHE
SCHEMBL2643483 0.81 NPC1 (0.67) RAB9ANPC1IDO1BCHEACHE
SCHEMBL29496950 0.81 NPC1 (0.67) RAB9ANPC1IDO1BCHEACHE
SCHEMBL11831593 0.80 RAB9A (0.51) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL27719827 0.80 PLK1 (0.47) RAB9ANPC1IDO1BCHEACHE
SCHEMBL2644131 0.79 NPC1 (0.55) RAB9ANPC1IDO1BCHEACHE
SCHEMBL2080546 0.79 CHRNB2 (0.66) RAB9AIDO1BCHEACHEPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898198-B Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2023-04-07 CN claimed
CN-112898198-B Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2023-04-07 CN disclosed
CN-112898198-A Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2021-06-04 CN disclosed
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP disclosed
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US disclosed
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 WO disclosed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP disclosed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP disclosed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 US disclosed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A RAB9A 850/4885NPC1 828/4885IDO1 55/4885

“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.