SCHEMBL5064995

SCHEMBL5064995

O=[N+]([O-])c1c(O)c(Cl)cc(Cl)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.72
HPGD P15428 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 2/20 0.53
GRIN2D O15399 5/20 0.50
GRIN3B O60391 5/20 0.50
GRIN1 Q05586 5/20 0.50
GRIN2A Q12879 5/20 0.50
GRIN2B Q13224 5/20 0.50
GRIN2C Q14957 5/20 0.50
GRIN3A Q8TCU5 5/20 0.50
HIF1A Q16665 2/20 0.50
GPR35 Q9HC97 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 1/20 0.46
CYP3A4 P08684 2/20 0.42

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
SCHEMBL9132988 0.89 TSHR (0.60) TSHRHPGDCYP1A2CYP2D6CYP2C9
Tecnazene SCHEMBL3014845 0.84 TSHR (1.00) TSHRHPGDCYP1A2CYP2D6CYP2C9
Tecnazene SCHEMBL64355 0.84 TSHR (1.00) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL10707864 0.84 GPR35 (0.58) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL31053020 0.83 TSHR (0.59) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL28383634 0.82 TSHR (0.48) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL12055946 0.80 TSHR (0.50) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL29186007 0.80 ALDH1A1 (0.55) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL7607838 0.79 TSHR (0.72) TSHRHPGDCYP1A2CYP2D6CYP2C9
SCHEMBL610592 0.77 TSHR (0.47) TSHRHPGDCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
EP-1962892-A2 INHIBITION OF CELL PROLIFERATION University of South Florida (US) 2008-09-03 EP disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
US-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 US disclosed
EP-0342068-A1 Solid carrier for immunodiagnosis, its method of treatment and application in immunodiagnosis SOCIETE D'APPLICATIONS PHARMACEUTIQUES ET BIOLOGIQUES HOECHST-BEHRING (FR) 1989-11-15 EP disclosed
US-4877702-A PERYLENE TYPE ELECTRIC CHARGE GENERATING SUBSTANCE AND DIAMINE DERIVATIVE AS ELECTRIC CHARGE TRANSFERRING SUBSTANCE MITA INDUSTRIAL CO., LTD. (JP) 1989-10-31 US disclosed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 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 (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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS TSHR 1894/4885HPGD 2832/4885CYP1A2 4601/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS TSHR 1894/4885HPGD 2832/4885CYP1A2 4601/4885

“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.