SCHEMBL643317

SCHEMBL643317

O=[N+]([O-])c1cccc2cc[c]cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 4/20 0.53
GPR35 Q9HC97 1/20 0.42
PDE10A Q9Y233 1/20 0.42
POLB P06746 1/20 0.41
HPRT1 P00492 1/20 0.41
NOS1 P29475 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
NOS2 P35228 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
NOS3 P29474 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
SCHEMBL386943 0.86 ALDH1A1 (0.61) ALDH1A1TDP1GPR35PDE10APOLB
Water SCHEMBL27605675 0.79 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL57184 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL29378762 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL27780773 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35PDE10APOLB
Ammonia Solution, Strong SCHEMBL8944844 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL28300398 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL28192836 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL28264950 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB
SCHEMBL28207718 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35PDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
CN-1066729-C Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-06-06 CN disclosed
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
EP-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 EP disclosed
CN-1023801-C 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1994-02-16 CN disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4818899-A DIRECTING LASER RADIATION ONTO A N-ARYL CARBAMYL COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-04-04 US disclosed
CN-88102161-A 2-oxa-isocephem compounds, compositions containing them and processes for their preparation 1988-10-05 CN disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0271251-A1 Second harmonic generation by carbamic acid derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-06-15 EP disclosed
US-4089876-A CARDIOVASCULAR ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1978-05-16 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885TDP1 1030/4885GPR35 3336/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885TDP1 1030/4885GPR35 3336/4885

“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.