SCHEMBL3306932

SCHEMBL3306932

CN(C)c1ccc(CNC=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.55
ADH1C P00326 1/20 0.55
ADH1A P07327 1/20 0.55
ADH7 P40394 1/20 0.55
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP8 P22894 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8763196 0.82 ADH1B (0.76) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5261164 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL30945860 0.81 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL24677481 0.80 ADH1B (0.55) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL6507085 0.78 ADH1B (0.53) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL2936645 0.78 CA12 (0.55) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4633463 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL31566 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL2932638 0.77 CA12 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL8763263 0.76 ADH1B (0.67) ADH1BADH1CADH1AADH7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 US disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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 (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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT ADH1B 1080/4885ADH1C 1892/4885ADH1A 2016/4885
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF ADH1B 97/4885ADH1C 42/4885ADH1A 126/4885
US-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS ADH1B 206/4885ADH1C 1712/4885ADH1A 1690/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ADH1B 2296/4885ADH1C 1803/4885ADH1A 2146/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ADH1B 4131/4885ADH1C 4202/4885ADH1A 4307/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT ADH1B 1080/4885ADH1C 1892/4885ADH1A 2016/4885

“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.