SCHEMBL7836832

SCHEMBL7836832

Cc1ccc2cccc([N+](=O)[O-])c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 6/20 0.53
CYP3A4 P08684 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2A6 P11509 1/20 0.53
HPRT1 P00492 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7835612 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL9735773 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL20608200 0.80 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL187061 0.80 ALDH1A1 (0.63) ALDH1A1TDP1TSHRHPRT1SMN1; SMN2
SCHEMBL9734521 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL12728634 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRHPRT1MAPT
SCHEMBL5781732 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL7836827 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL2170070 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRHPRT1MAPT
SCHEMBL27553582 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP1A2CYP2A6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP 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-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 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-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 ALDH1A1 4115/4885TDP1 770/4885TSHR 4761/4885

“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.