SCHEMBL6493644

SCHEMBL6493644

Cc1cccc2cccc([N+](=O)[O-])c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APEX1 P27695 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
CYP2C19 P33261 1/20 0.47
NOS2 P35228 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL29626558 0.85 ALDH1A1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL187697 0.85 ALDH1A1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10531471 0.82 TSHR (0.62) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5950672 0.81 TDP1 (0.64) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5248126 0.80 TDP1 (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6965924 0.80 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28069896 0.80 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
Acetone SCHEMBL27618861 0.80 TDP1 (0.52) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
Naphthalene SCHEMBL7858079 0.79 HSD17B10 (0.87) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL21903963 0.79 TSHR (0.47) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN claimed
US-9593197-B2 Trigger-responsive chain-shattering polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-05-21 US disclosed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 US disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US 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
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-4482438-A ELECTROLYSIS ANODIC OXIDATION, REDOX SYSTEMS/ ELECTROLYSIS, ANODIC OXIDATION, REDOX SYSTEMS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-11-13 US disclosed
EP-0102762-A2 Method of performing a chemical reaction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-14 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-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers SGTA, FUS, EWSR1 TSHR 3716/4885SMN1; SMN2 2055/4885HSD17B10 2293/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TSHR 2198/4885SMN1; SMN2 1898/4885HSD17B10 2302/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TSHR 2198/4885SMN1; SMN2 1898/4885HSD17B10 2302/4885

“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.