SCHEMBL3365131

SCHEMBL3365131

COc1cc(N)cc(Br)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
APOBEC3A P31941 1/20 0.55
HTT P42858 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TUBB1 Q9H4B7 3/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 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
SCHEMBL1282544 0.86 CA2 (0.52) TSHRAPOBEC3AHTTAPOBEC3GPOLB
SCHEMBL191996 0.84 ACHE (0.59) TSHRHTTTUBB1TUBB4ATUBB
Ammonia Solution, Strong SCHEMBL4946565 0.81 ACHE (0.56) TSHRHTTTUBB1TUBB4ATUBB
Hydrochloric Acid SCHEMBL4381078 0.81 ACHE (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21582165 0.80 TSHR (0.49) TSHRAPOBEC3AHTTAPOBEC3GPOLB
SCHEMBL14300196 0.78 CA2 (0.45) TSHRAPOBEC3AHTTAPOBEC3GPOLB
SCHEMBL21264353 0.77 MAPT (0.47) TSHRHTTPOLBMAPTCYP19A1
SCHEMBL5236856 0.77 TUBB1 (0.58) TSHRAPOBEC3AHTTAPOBEC3GTUBB1
SCHEMBL2529901 0.77 ACHE (0.46) TSHRHTTPOLBL3MBTL1TUBB1
SCHEMBL5660899 0.77 POLB (0.47) TSHRAPOBEC3AHTTAPOBEC3GPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698352-B Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2023-01-17 CN claimed
CN-110698352-A Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2020-01-17 CN claimed
CN-103936631-B A kind of Biphenyl carbamide compound containing oximido and its preparation method and application XI'AN JIAOTONG UNIVERSITY (CN) 2015-08-05 CN claimed
CN-103288684-B Biphenyl carbamide compound with antineoplastic activity and preparation method thereof UNIV XI AN JIAOTONG 2014-12-10 CN claimed
CN-103936631-A Oximido diphenyl urea compound as well as preparation method and application thereof UNIV XI AN JIAOTONG 2014-07-23 CN claimed
CN-103288684-A Biphenyl carbamide compound with antineoplastic activity and preparation method thereof UNIV XI AN JIAOTONG 2013-09-11 CN claimed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
CN-110698352-B Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2023-01-17 CN disclosed
CN-110698352-B Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2023-01-17 CN disclosed
CN-110698352-B Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2023-01-17 CN disclosed
CN-110698352-A Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2020-01-17 CN disclosed
CN-110698352-A Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2020-01-17 CN disclosed
CN-110698352-A Synthetic method of 3-bromo-5-aminocatechol dimethyl ether 邢台学院 2020-01-17 CN disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (3 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 TSHR 226/4885APOBEC3A 2113/4885HTT 968/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP TSHR 4770/4885APOBEC3A 1777/4885HTT 3329/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS TSHR 4748/4885APOBEC3A 787/4885HTT 3096/4885

“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.