SCHEMBL6223602

SCHEMBL6223602

COC(=O)c1ccc(C(Br)Br)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
S1PR4 O95977 1/20 0.47
S1PR3 Q99500 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.41
XDH P47989 1/20 0.41
HPGDS O60760 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
SCHEMBL7419598 0.88 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL28230930 0.85 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL179293 0.84 MAPK1 (0.61) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL31601530 0.84 MAPK1 (0.53) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL28356445 0.84 MAPK1 (0.53) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL796852 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL14636332 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL6226826 0.83 MAPK1 (0.59) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL3645881 0.81 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL13290278 0.81 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461608-B Synthetic method of 6-formyl methyl nicotinate 江苏弘和药物研发有限公司 2023-03-17 CN claimed
CN-113461608-A Synthetic method of 6-formyl methyl nicotinate 江苏弘和药物研发有限公司 2021-10-01 CN claimed
CN-117800904-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2024-04-02 CN disclosed
CN-113166061-B ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2023-11-21 CN disclosed
CN-113461608-B Synthetic method of 6-formyl methyl nicotinate 江苏弘和药物研发有限公司 2023-03-17 CN disclosed
CN-113461608-B Synthetic method of 6-formyl methyl nicotinate 江苏弘和药物研发有限公司 2023-03-17 CN disclosed
CN-113461608-A Synthetic method of 6-formyl methyl nicotinate 江苏弘和药物研发有限公司 2021-10-01 CN disclosed
CN-113166061-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2021-07-23 CN disclosed
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
EP-1268449-A4 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2004-09-15 EP disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed
EP-1268449-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
WO-2001070708-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 2001-09-27 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 (1 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R MAPK1 3295/4885KDM4E 492/4885L3MBTL1 3619/4885

“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.