SCHEMBL16014765

SCHEMBL16014765

CC(C)(N)COc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
APP P05067 1/20 0.40
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL1542949 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EAPPDRD4DRD2
SCHEMBL6174994 0.81 CA12 (0.48) ALDH1A1APPCA1CA2CA9
SCHEMBL777299 0.81 TDP1 (0.56) ALDH1A1APPMAPTMAOBMAPK1
Hydrochloric Acid SCHEMBL775512 0.79 TDP1 (0.54) ALDH1A1APPMAPTMAOBMAPK1
SCHEMBL6174449 0.79 SLC6A2 (0.50) APPDRD4DRD2DRD3MAPT
SCHEMBL7877126 0.79 MAOB (0.44) APPDRD4DRD2DRD3MAOB
Hydrochloric Acid SCHEMBL2960337 0.79 TDP1 (0.54) ALDH1A1APPMAPTMAOBMAPK1
SCHEMBL5685402 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EAPPDRD4DRD2
SCHEMBL16025277 0.79 NQO1 (0.36) ALDH1A1KDM4EAPPMAPTMAOB
SCHEMBL16481270 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EAPPDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
US-12247045-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-11 US disclosed
US-20240199621-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2024-06-20 US disclosed
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
EP-3891158-A1 MAP4K4 INHIBITORS Imperial College of Science, Technology and Medicine (GB) 2021-10-13 EP disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 ALDH1A1 2176/4885KDM4E 1003/4885APP 2399/4885
US-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 222/4885KDM4E 2720/4885APP 4799/4885
US-12247045-B2 MAP4K4 inhibitors MAP4K4, MAP4K5, MAP4K1 ALDH1A1 2176/4885KDM4E 1003/4885APP 2399/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885KDM4E 742/4885APP 2889/4885
US-20240199621-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885KDM4E 742/4885APP 2889/4885

“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.