SCHEMBL3136409

SCHEMBL3136409

C1=CC2=Nc3ccccc3OC2=CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PPARA Q07869 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL37435600 1.00 CYP1A2 (0.36) CYP1A2CYP2D6KDM4ENPC1ALDH1A1
SCHEMBL4891879 0.70 TRPA1 (0.40) TRPA1
SCHEMBL15549945 0.70 KDM4E (0.36) CYP1A2CYP2D6KDM4ENPC1ALDH1A1
SCHEMBL29870245 0.70 CYP1A2 (0.41) CYP1A2CYP2D6KDM4ENPC1ALDH1A1
SCHEMBL17732176 0.69 CYP1A2 (0.36) CYP1A2CYP2D6KDM4ENPC1ALDH1A1
SCHEMBL12373082 0.69 TRPA1 (0.34) KDM4EALDH1A1MAPTPPARATRPA1
SCHEMBL1357123 0.68 IDO1 (0.31)
SCHEMBL38660406 0.68 ALDH1A1 (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL9461527 0.67 PPARA (0.31) PPARA
SCHEMBL8587215 0.66 LMNA (0.50) KDM4ENPC1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP claimed
WO-2026102344-A2 NEAR INFRARED FLUOROPHORES FOR PERIPHERAL AND CENTRAL NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2026-05-15 WO disclosed
CN-115372324-A Detection method and detection reagent for phenylalanine 中国科学院理化技术研究所 2022-11-22 CN disclosed
CN-110914328-B Indicator system 科思创德国股份有限公司 2022-05-13 CN disclosed
CN-110945048-B Acidic indicator system 科思创德国股份有限公司 2022-03-15 CN disclosed
EP-3668914-A1 INDICATOR SYSTEM Covestro Deutschland AG (DE) 2020-06-24 EP disclosed
EP-3668913-A1 ACID INDICATOR SYSTEM Covestro Deutschland AG (DE) 2020-06-24 EP disclosed
CN-110301052-A Photo-electric conversion element and optical region sensor, image pick-up element and the image pick up equipment for using it 佳能株式会社 2019-10-01 CN disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
CN-101440282-B Near-infrared fluorescent molecular probe, synthesizing method and use thereof UNIV CHINA PHARMA 2012-06-27 CN disclosed
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1713457-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-10-25 EP disclosed
CN-1835955-A 3h-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2006-09-20 CN disclosed
CN-1835955-A 3h-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2006-09-20 CN disclosed
EP-1679508-A1 BIOSENSOR AND METHOD FOR PREPARATION THEREOF Arkray, Inc. (JP) 2006-07-12 EP disclosed
EP-1658294-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF Novartis AG (CH) 2006-05-24 EP disclosed
WO-2005077343-A9 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX DELBRUECK CENTRUM (DE) 2005-11-24 WO disclosed
WO-2005077343-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2005-08-25 WO disclosed
WO-2005016934-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2005-02-24 WO disclosed
US-5498542-A Electrode mediators for regeneration of NADH and NADPH BAYER CORPORATION (US) 1996-03-12 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-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof PSEN1, PSEN2, CHRM5 CYP1A2 238/4885CYP2D6 488/4885KDM4E 2578/4885

“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.