SCHEMBL1965979

SCHEMBL1965979

COc1ccc(C=O)cc1SC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.63
▸ TSHR P16473 1/20 0.63
▸ AOX1 Q06278 1/20 0.58
▸ FDPS P14324 1/20 0.54
▸ HPGD P15428 3/20 0.53
▸ TRIM24 O15164 1/20 0.53
▸ ALDH5A1 P51649 1/20 0.53
▸ ABAT P80404 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TRIM33 Q9UPN9 1/20 0.53
▸ TTR P02766 1/20 0.50
▸ ALDH1A3 P47895 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL1966184 0.98 ALDH1A1 (0.61) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL30845321 0.85 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL9529019 0.85 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL5882272 0.81 ALDH1A1 (0.58) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL5113878 0.78 TTR (0.55) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL3406735 0.78 ALDH1A1 (0.52) ALDH1A1TSHRAOX1FDPSHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.78 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10559764-B2 Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-11 — — US disclosed
US-10559764-B2 Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-11 — — US disclosed
EP-3050887-B1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2017-06-28 — — EP disclosed
US-20160226005-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160226005-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-04 — — US disclosed
EP-3050887-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM Samsung Electronics Co., Ltd. (KR) 2016-08-03 — — EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 — — US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 — — EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 — — US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 — — US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 — — US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 — — US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO 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 (6 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885
US-10559764-B2 Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film OCIAD2, OCIAD1, BMI1 ALDH1A1 1611/4885TSHR 4661/4885AOX1 291/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ALDH1A1 2292/4885TSHR 289/4885AOX1 1997/4885
US-20160226005-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM OCIAD2, OCIAD1, BMI1 ALDH1A1 1611/4885TSHR 4661/4885AOX1 291/4885

“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.

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