SCHEMBL5164828

SCHEMBL5164828

N#CC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 7/20 0.53
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 2/20 0.50
TRPA1 O75762 1/20 0.50
USP2 O75604 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
GAA P10253 2/20 0.46
ALPG P10696 1/20 0.46

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
Hydrochloric Acid SCHEMBL27736240 0.98 L3MBTL1 (0.54) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL7825067 0.91 ALDH1A1 (0.60) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL13198785 0.89 ALDH1A1 (0.58) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL181005 0.86 TSHR (0.56) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL11381303 0.84 L3MBTL1 (0.54) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL6307398 0.84 TSHR (0.54) L3MBTL1ALDH1A1HTTNPSR1LMNA
Hydrochloric Acid SCHEMBL27539023 0.84 TSHR (0.54) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL909586 0.84 TSHR (0.54) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL28381532 0.82 ALDH1A1 (0.49) L3MBTL1ALDH1A1HTTNPSR1LMNA
SCHEMBL10537657 0.82 GAA (0.50) L3MBTL1ALDH1A1HTTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883148-A A kind of restoring method of (2,6 dichloro-4,4 amido) a (4 ' chlorphenyl) benzene acetonitrile 浙江国邦药业有限公司 2017-06-23 CN disclosed
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
US-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands 7TM PHARMA A/S (DK) 2008-05-22 US disclosed
EP-1758874-A1 SUBSTITUTED THIAZOLEACETIC ACIDS AS CRTH2 LIGANDS 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005116001-A1 SUBSTITUTED THIAZOLEACETIC AS CRTH2 LIGANDS 7TM PHARMA A/S (DK) 2005-12-08 WO disclosed
EP-0712845-B1 Amine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-17 EP disclosed
EP-0679642-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-11-10 EP disclosed
US-5654296-A HORMONE INHIBITOR; NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed
US-5633248-A GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
US-5607939-A CALCIUM ANTAGONIST, GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND MONOAMINEU UPTAKE INHIBITORS FOR CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-04 US disclosed
EP-0712845-A1 Amine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-22 EP disclosed
EP-0679642-A1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-02 EP disclosed
EP-0445698-B1 Thiocarbamoylacetonitrile compounds MITSUBISHI CHEM IND (JP) 1994-06-22 EP disclosed
US-5246958-A Thiocarbamoylacetonitriles MITSUBISHI KASEI CORPORATION (JP) 1993-09-21 US disclosed
CN-1016687-B PROCESS FOR PREPARATION OF ALPHA-ARYL-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-Y1) BENZENE-ACETONITRILES JANNSSEN PHARMACEUTICA N V (BE) 1992-05-20 CN disclosed
EP-0445698-A1 Thiocarbamoylacetonitrile compounds MITSUBISHI KASEI CORPORATION (JP) 1991-09-11 EP disclosed
CN-85105673-A The method of preparation alpha-aromatic-4-(4,5-dihydro-3,5-dioxy-1,2,4-triazine-2 (3H) base)-benzyl cyanide 1987-01-14 CN disclosed
US-4281141-A FUNGICIDES ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4009021-A Imidazole plant growth regulators ROHM AND HAAS COMPANY (US) 1977-02-22 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-20080119456-A1 Substituted Thiazoleacetic Acid as Crth2 Ligands HRH1, HRH2, HRH3 L3MBTL1 3030/4885ALDH1A1 832/4885HTT 3952/4885

“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.