SCHEMBL16397245

SCHEMBL16397245

CCOc1cc(Br)cc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 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
SCHEMBL3176817 0.89 KDM4E (0.54) KDM4ECA12CA1CA2CA7
SCHEMBL11171580 0.89 KDM4E (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL16898021 0.87 NOTUM (0.50) NOTUMKDM4ECA12CA1CA2
SCHEMBL29173958 0.86 PARP10 (0.43) NOTUMKDM4ETP53CA12CA1
SCHEMBL288382 0.86 BRD4 (0.53) TP53CA12CA1CA2CA7
SCHEMBL16493137 0.85 NOTUM (0.49) NOTUMKDM4ECA12CA1CA2
SCHEMBL16898159 0.85 NOTUM (0.49) NOTUMKDM4ECA12CA1CA2
SCHEMBL30045094 0.85 NOTUM (0.49) NOTUMKDM4ECA12CA1CA2
SCHEMBL17823865 0.85 MAPT (0.51) NOTUMKDM4ECA12CA1CA2
SCHEMBL6977750 0.85 NOTUM (0.49) NOTUMKDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
US-20210363152-A1 AMINOAZINE AMIDES HOFFMANN LA ROCHE (US) 2021-11-25 US disclosed
CN-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed
EP-3873473-A1 AMINOAZINE AMIDES F. Hoffmann-La Roche AG (CH) 2021-09-08 EP disclosed
WO-2021060281-A1 PROSTAGLANDIN E2 RECEPTOR EP2/EP4 DUAL ANTAGONIST AGC株式会社 2021-04-01 WO disclosed
WO-2020123426-A1 AMINOAZINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020119896-A1 HETEROCYCLIC INHIBITORS OF ATX F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 EP disclosed
CN-106103431-A Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-11-09 CN disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 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-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 NOTUM 3816/4885KDM4E 1845/4885TP53 270/4885
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 NOTUM 2527/4885KDM4E 3090/4885TP53 1650/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 NOTUM 2527/4885KDM4E 3090/4885TP53 1650/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 NOTUM 2527/4885KDM4E 3090/4885TP53 1650/4885
US-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 NOTUM 3076/4885KDM4E 2288/4885TP53 668/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB NOTUM 910/4885KDM4E 1062/4885TP53 4802/4885

“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.