1400W

1400W

SCHEMBL524310

CC(N)=NCc1cccc(CN)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 1.00
NOS1 P29475 7/20 1.00
NOS3 P29474 5/20 1.00
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
CYP3A4 P08684 1/20 1.00
NFKB1 P19838 1/20 1.00
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49

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
1400W SCHEMBL29386443 0.98 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
1400W SCHEMBL3115597 0.98 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL9062832 0.81 NOS1 (0.68) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL29037227 0.80 NOS1 (0.67) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL9063327 0.78 NOS1 (0.64) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL14291059 0.78 NOS2 (0.96) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL20675953 0.78 NOS2 (0.96) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL16378769 0.77 NOS2 (0.63) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4737504 0.76 NOS2 (0.92) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL36008 0.74 LOXL2 (0.71) NOS2NOS1NOS3ALDH1A1SMN1; SMN2

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024224296-A2 TARGETED PHARMACEUTICAL COMPOSITIONS TO TREAT NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-31 WO claimed
EP-3427061-B1 USE OF SELECTIVE INOS INHIBITORS FOR TREATING THORACIC AORTIC ANEURYSM CENTRO NAC DE INVESTIGACIONES CARDIOVASCULARES CARLOS III F S P (ES) 2023-12-06 EP claimed
EP-3967303-A1 INOS-INHIBITORY COMPOSITIONS AND THEIR USE AS BREAST CANCER THERAPEUTICS The Methodist Hospital (US) 2022-03-16 EP claimed
EP-3129015-A1 INOS-INHIBITORY COMPOSITIONS AND THEIR USE AS BREAST CANCER THERAPEUTICS The Methodist Hospital System (US) 2017-02-15 EP claimed
US-20170020835-A1 INOS-INHIBITORY COMPOSITIONS AND THEIR USE AS BREAST CANCER THERAPEUTICS THE METHODIST HOSPITAL 2017-01-26 US claimed
WO-2015157471-A1 INOS-INHIBITORY COMPOSITIONS AND THEIR USE AS BREAST CANCER THERAPEUTICS THE METHODIST HOSPITAL (US) 2015-10-15 WO claimed
US-20260083844-A1 DOWNREGULATING INOS TO INCREASE CAR-T KILLING H LEE MOFFITT CANCER CT & RES (US) 2026-03-26 US disclosed
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 EP disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
WO-2024231899-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-11-14 WO disclosed
WO-2024224296-A2 TARGETED PHARMACEUTICAL COMPOSITIONS TO TREAT NEUROLOGICAL CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-31 WO disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
EP-2245026-B1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2012-08-01 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 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 (7 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 NOS2 2642/4885NOS1 1691/4885NOS3 2004/4885
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 NOS2 1968/4885NOS1 2051/4885NOS3 2183/4885
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 NOS2 2532/4885NOS1 1475/4885NOS3 518/4885
US-20260083844-A1 DOWNREGULATING INOS TO INCREASE CAR-T KILLING NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 NOS2 2500/4885NOS1 2128/4885NOS3 1722/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 NOS2 2500/4885NOS1 2128/4885NOS3 1722/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 NOS2 4326/4885NOS1 4381/4885NOS3 4133/4885

“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.