SCHEMBL879247

SCHEMBL879247

Cc1ccc(C2CC2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.57
SLC6A3 Q01959 8/20 0.57
SLC6A4 P31645 7/20 0.57
CYP2D6 P10635 6/20 0.57
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 7/20 0.45
SMURF2 Q9HAU4 1/20 0.42
SMURF1 Q9HCE7 1/20 0.42
QDPR P09417 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
SCHEMBL5585043 0.87 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL16001235 0.87 QDPR (0.57) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL5585044 0.87 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL9912504 0.83 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL25758180 0.82 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL2884802 0.79 HTR2C (0.46) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL9870878 0.79 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL30242142 0.78 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL21957256 0.78 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL30368131 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022208391-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER INC, (US) 2022-10-06 WO disclosed
WO-2021083182-A1 URICOSURIC AGENT, SYNTHETIC METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 南京明德新药研发有限公司 2021-05-06 WO disclosed
EP-2773616-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
EP-2690101-A1 5-Anilinoimidazopyridines and Methods of Use Genentech, Inc. (US) 2014-01-29 EP disclosed
US-8552043-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-10-08 US disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
EP-2135608-A1 S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2009-12-23 EP disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20080319201-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC., A CALIFORNIA CORPORATION (US) 2008-12-25 US disclosed
US-20080319201-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC., A CALIFORNIA CORPORATION (US) 2008-12-25 US disclosed
US-7435752-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benozioc acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-10-14 US disclosed
US-7435752-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benozioc acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-10-14 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 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 (5 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-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SLC6A2 1024/4885SLC6A3 1120/4885SLC6A4 1652/4885
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 SLC6A2 852/4885SLC6A3 1475/4885SLC6A4 1537/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SLC6A2 1024/4885SLC6A3 1120/4885SLC6A4 1652/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 SLC6A2 768/4885SLC6A3 874/4885SLC6A4 1394/4885
US-20080319201-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS NQO2, NAT1, QPCT SLC6A2 514/4885SLC6A3 418/4885SLC6A4 399/4885

“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.