SCHEMBL1612307

SCHEMBL1612307

COc1cc(C(N)=O)cc(OC)c1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
APOBEC3A P31941 1/20 0.68
HTT P42858 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
BPTF Q12830 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47

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
SCHEMBL17786781 0.85 TSHR (0.53) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL27914756 0.81 TSHR (1.00) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL976822 0.81 CA12 (0.67) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL11850840 0.81 TSHR (0.59) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.81 TSHR (0.76) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL2389998 0.81 LMNA (0.67) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL502534 0.81 PKM (0.67) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL1004561 0.81 TSHR (0.59) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL18112931 0.80 TSHR (0.68) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1
SCHEMBL731344 0.79 MAPT (0.53) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
CN-102007133-B 3-phenylpyrazolo [5,1-b ] thiazole compounds EISAI R&D MAN CO LTD 2013-06-12 CN disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
EP-2266990-B1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-26 EP disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US disclosed
EP-2266990-A1 3-PHENYLPYRAZOLOÝ5,1-b¨THIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-12-29 EP disclosed
WO-2009128383-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2009-10-22 WO disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
CN-1898197-A Novel compound TANABE SEIYAKU CO (JP) 2007-01-17 CN disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND CRHR1, CNR1, AGTR1 TSHR 132/4885APOBEC3A 4104/4885HTT 2709/4885
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS CRHR1, AGTR1, CRHR2 TSHR 99/4885APOBEC3A 4272/4885HTT 2846/4885
US-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM TSHR 4168/4885APOBEC3A 4750/4885HTT 540/4885

“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.