SCHEMBL281936

SCHEMBL281936

C1=Cc2cc3cccnc3cc2NC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
CASP1 P29466 2/20 0.39
ATM Q13315 2/20 0.39
CASP7 P55210 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 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
SCHEMBL19932542 0.81 PDGFRB (0.32) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL1438677 0.79 GAA (0.37) NPC1POLBRAB9AALDH1A1HTT
Quinoline SCHEMBL9665224 0.76 ALDH1A1 (0.53) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL16105727 0.76 GAA (0.35) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL13480285 0.73 ALDH1A1 (0.46) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL10919454 0.73 NPC1 (0.40) NPC1POLBRAB9APDGFRBPDGFRA
Acridine SCHEMBL27975848 0.71 MAPT (0.48) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL28349734 0.71 ALDH1A1 (0.33) NPC1POLBRAB9AALDH1A1HTT
SCHEMBL7546122 0.70 ALDH1A1 (0.42) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL11977446 0.70 NPC1 (0.43) NPC1POLBRAB9APDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases METABASIS THERAPEUTICS, INC. (US) 2021-02-23 US disclosed
US-10420781-B2 Thyroid hormone receptor agonist and use thereof METABASIS THERAPEUTICS INC. (US) 2019-09-24 US disclosed
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS INC. 2018-12-06 US disclosed
US-10130643-B2 Thyromimetics for the treatment of fatty liver diseases METABASIS THERAPEUTICS, INC. (US) 2018-11-20 US disclosed
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. 2017-11-09 US disclosed
WO-2017184811-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. (US) 2017-10-26 WO disclosed
US-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases METABASIS THERAPEUTICS, INC. (US) 2017-04-27 US disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US disclosed
WO-2006033004-A1 QUINOLINE COMPOUNDS AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
US-20060063803-A1 4-Amino substituted-2-substituted-1,2,3,4-tetrahydroquinoline compounds PFIZER INC 2006-03-23 US disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 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 (14 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-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases TSHR, THRA, FABP1 NPC1 693/4885POLB 4467/4885RAB9A 3593/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD NPC1 59/4885POLB 1807/4885RAB9A 2271/4885
US-10420781-B2 Thyroid hormone receptor agonist and use thereof THRB, THRA, TSHR NPC1 416/4885POLB 4656/4885RAB9A 1188/4885
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases TSHR, THRA, FABP1 NPC1 693/4885POLB 4467/4885RAB9A 3593/4885
US-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 NPC1 37/4885POLB 3618/4885RAB9A 1872/4885
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD NPC1 59/4885POLB 1807/4885RAB9A 2271/4885
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES TSHR, THRA, FABP1 NPC1 699/4885POLB 4445/4885RAB9A 3581/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 NPC1 845/4885POLB 3808/4885RAB9A 3397/4885
US-20060063803-A1 4-Amino substituted-2-substituted-1,2,3,4-tetrahydroquinoline compounds APOB, LDLR, CETP NPC1 24/4885POLB 3980/4885RAB9A 2444/4885
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR NPC1 416/4885POLB 4656/4885RAB9A 1188/4885
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR NPC1 416/4885POLB 4656/4885RAB9A 1188/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 NPC1 37/4885POLB 3618/4885RAB9A 1872/4885
US-10130643-B2 Thyromimetics for the treatment of fatty liver diseases TSHR, THRA, FABP1 NPC1 693/4885POLB 4467/4885RAB9A 3593/4885
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD NPC1 172/4885POLB 2223/4885RAB9A 3005/4885

“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.