SCHEMBL386943

SCHEMBL386943

O=[N+]([O-])c1cccc2c[c]ccc12

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
TSHR P16473 3/20 0.42
PDE10A Q9Y233 1/20 0.42
POLB P06746 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
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
CYP2C19 P33261 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
SCHEMBL643317 0.86 ALDH1A1 (0.61) ALDH1A1TDP1GPR35TSHRPDE10A
Water SCHEMBL27605675 0.79 ALDH1A1 (0.96) ALDH1A1TDP1GPR35TSHRPDE10A
SCHEMBL646962 0.78 ALDH1A1 (0.60) ALDH1A1TDP1TSHRPDE10AMEN1
SCHEMBL27780773 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35TSHRPDE10A
SCHEMBL57184 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35TSHRPDE10A
SCHEMBL29378762 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GPR35TSHRPDE10A
Ammonia Solution, Strong SCHEMBL8944844 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35TSHRPDE10A
Methane SCHEMBL28324670 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35TSHRPDE10A
SCHEMBL28264950 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35TSHRPDE10A
SCHEMBL28207718 0.75 ALDH1A1 (0.96) ALDH1A1TDP1GPR35TSHRPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772534-A PHOTORESISTS FUJI PHOTO FILM CO., LTD. (JP) 1988-09-20 US claimed
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
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 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-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-5667930-A Photoresist composition containing 4,6-(bis)chloromethyl-5-triazine initiator CHEIL SYNTHETICS INCORPORATION (KR) 1997-09-16 US disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 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
US-4772534-A PHOTORESISTS FUJI PHOTO FILM CO., LTD. (JP) 1988-09-20 US disclosed
US-4701399-A Photosensitive composition with 2-halomethyl-5-substituted-1,3,4-oxadiazole FUJI PHOTO FILM CO., LTD. (JP) 1987-10-20 US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0115156-A2 Light sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1984-08-08 EP 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 (3 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885TDP1 4400/4885GPR35 889/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ALDH1A1 898/4885TDP1 3477/4885GPR35 1855/4885

“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.