SCHEMBL6687463

SCHEMBL6687463

Nc1cc(N)c(O)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.75
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 5/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HSD17B10 Q99714 7/20 0.45
TSHR P16473 5/20 0.45
HPGD P15428 4/20 0.45
ALOX15 P16050 4/20 0.45
RECQL P46063 2/20 0.45
CASP1 P29466 2/20 0.45
TTR P02766 1/20 0.43
GAA P10253 3/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.39
ALOX12 P18054 2/20 0.39

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
SCHEMBL93999 0.86 THRB (1.00) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL9453347 0.83 THRB (0.94) THRBALDH1A1CYP3A4CA1CA2
Hydrochloric Acid SCHEMBL7755405 0.83 THRB (0.94) THRBALDH1A1CYP3A4CA1CA2
Hydrochloric Acid SCHEMBL10336483 0.83 THRB (0.94) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL5271617 0.83 THRB (0.94) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL95449 0.80 THRB (0.50) THRBALDH1A1CYP3A4CA1CA2
Hydrochloric Acid SCHEMBL10336482 0.79 THRB (0.84) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL2253709 0.79 TSHR (0.65) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL2806380 0.79 TTR (0.65) THRBALDH1A1CYP3A4CA1CA2
SCHEMBL22134259 0.79 THRB (0.75) THRBALDH1A1CYP3A4CA1CA2

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
WO-2022242743-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-11-24 WO disclosed
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 EP disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 US disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 US disclosed
EP-2918641-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2015-09-16 EP disclosed
WO-2015117984-A1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2015-08-13 WO disclosed
US-20120016033-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-01-19 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
EP-2273500-A1 Simultaneous two-photon absorption recording-reproduction method, and simultaneous two-photon absorption recording material for use therein FUJIFILM Corporation (JP) 2011-01-12 EP disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 WO disclosed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN disclosed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO disclosed
EP-0093369-B1 REACTIVE DYES BAYER AG (DE) 1986-07-23 EP disclosed
EP-0093369-A2 Reactive dyes BAYER AG (DE) 1983-11-09 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 (4 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-20120016033-A1 Small Molecule Antagonists of Phosphatidylinositol-3,4,5-Triphosphate (PIP3) and Uses Thereof PIP5K1A, PIP5K1B, PIP4K2A THRB 1832/4885ALDH1A1 4808/4885CYP3A4 4658/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A THRB 92/4885ALDH1A1 915/4885CYP3A4 2086/4885
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 THRB 3915/4885ALDH1A1 1699/4885CYP3A4 2751/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A THRB 92/4885ALDH1A1 915/4885CYP3A4 2086/4885

“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.