SCHEMBL696401

SCHEMBL696401

COc1cccc(F)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
NFE2L2 Q16236 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL29712485 1.00 L3MBTL1 (0.46) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL7802337 0.85 CA1 (0.50) L3MBTL1TDP1SMN1; SMN2MAPK1CA12
SCHEMBL8418210 0.82 L3MBTL1 (0.47) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL29819708 0.81 L3MBTL1 (0.51) L3MBTL1TDP1MAPK1KMT2AMEN1
SCHEMBL20239470 0.81 L3MBTL1 (0.51) L3MBTL1TDP1MAPK1KMT2AMEN1
SCHEMBL24685480 0.80 L3MBTL1 (0.46) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL178447 0.80 L3MBTL1 (0.46) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL2426746 0.80 CD274 (0.49) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL16892228 0.80 L3MBTL1 (0.46) L3MBTL1TDP1KDM1AMAOASMN1; SMN2
SCHEMBL30590652 0.80 L3MBTL1 (0.46) L3MBTL1TDP1KDM1AMAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041296-B Aminoacetamides containing benzooxy alicyclic structures and uses thereof 上海璃道医药科技有限公司 2023-12-29 CN disclosed
CN-116478154-A Quinuclidine derivative and preparation method and application thereof 北京大学宁波海洋药物研究院 2023-07-25 CN disclosed
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
EP-4028402-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
US-20220202963-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-06-30 US disclosed
CN-114650994-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2022-06-21 CN disclosed
EP-3883936-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-09-29 EP disclosed
WO-2021048241-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
CN-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN disclosed
US-10662185-B2 Amino-substituted imidazo[1,2-A] pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
CN-101663302-A Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2010-03-03 CN disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101331134-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2008-12-24 CN disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 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 (4 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 L3MBTL1 2619/4885TDP1 4552/4885KDM1A 634/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR L3MBTL1 4084/4885TDP1 2188/4885KDM1A 622/4885
US-10662185-B2 Amino-substituted imidazo[1,2-A] pyridinecarboxamides and their use AADAC, TNNI3, TNNT2 L3MBTL1 4388/4885TDP1 1428/4885KDM1A 955/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL L3MBTL1 369/4885TDP1 2305/4885KDM1A 2277/4885

“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.