SCHEMBL2829423

SCHEMBL2829423

CCOC(=O)c1cc(Br)cc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA12 O43570 3/20 0.49
CA14 Q9ULX7 3/20 0.49
NOTUM Q6P988 1/20 0.45
POLB P06746 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ELANE P08246 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
DDR1 Q08345 1/20 0.40

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
SCHEMBL31401414 0.84 NOTUM (0.64) CA1CA2CA7CA9CA12
SCHEMBL1868624 0.84 NOTUM (0.64) CA1CA2CA7CA9CA12
SCHEMBL13290826 0.83 CA12 (0.47) CA1CA2CA7CA9CA12
SCHEMBL13807307 0.82 NOTUM (0.45) CA1CA2CA7CA9NOTUM
SCHEMBL4757744 0.82 MEN1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL288382 0.82 BRD4 (0.53) CA1CA2CA7CA9CA12
SCHEMBL31135164 0.82 MEN1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL22092817 0.82 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL10180584 0.81 CA12 (0.64) CA1CA2CA7CA9CA12
SCHEMBL2712707 0.81 CA12 (0.64) CA1CA2CA7CA9CA12

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 19 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-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-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
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 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 (2 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-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 CA1 3416/4885CA2 912/4885CA7 860/4885
US-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 CA1 1306/4885CA2 660/4885CA7 605/4885

“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.