SCHEMBL408709

SCHEMBL408709

NC(=O)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HPGD P15428 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ GRIN2D O15399 2/20 0.52
▸ GRIN3B O60391 2/20 0.52
▸ GRIN1 Q05586 2/20 0.52
▸ GRIN2A Q12879 2/20 0.52
▸ GRIN2B Q13224 2/20 0.52
▸ GRIN2C Q14957 2/20 0.52

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
Ethane SCHEMBL28135924 0.96 ALDH1A1 (0.59) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL3056874 0.87 KMT2A (0.71) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL2746268 0.85 ALDH1A1 (0.56) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL81511 0.83 CYP2C19 (0.64) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL1867492 0.83 ALDH1A1 (0.61) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL15808527 0.82 CA2 (0.50) CYP2C19CYP2C9KMT2AMEN1
SCHEMBL881512 0.82 KMT2A (0.61) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL5814043 0.81 ALDH1A1 (0.56) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL13700867 0.81 ALDH1A1 (0.51) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
Hydrochloric Acid SCHEMBL17710406 0.81 CYP2C19 (0.62) CYP2D6CYP2C19CYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385948-B1 FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LTD (IN) 2017-10-04 — — EP claimed
CN-107021943-A One class 7-epi- baccatin III derivatives, and its production and use 中国科学院上海药物研究所 2017-08-08 — — CN claimed
US-20130331406-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LIMITED (IN) 2013-12-12 — — US claimed
US-8541430-B2 Fused thiazolo and oxazolo pyrimidinones TORRENT PHARMACEUTICALS LIMITED (IN) 2013-09-24 — — US claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — US claimed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 — — US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 — — US disclosed
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 — — CN disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 — — US disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 — — US disclosed
EP-2385948-B1 FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LTD (IN) 2017-10-04 — — EP disclosed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 — — US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 — — US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 — — US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 — — WO disclosed
WO-2002076968-A1 MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES NOVARTIS AG (CH) 2002-10-03 — — WO disclosed
WO-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 — — 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET CYP2D6 2732/4885CYP2C19 2449/4885CYP1A2 3232/4885
US-20130331406-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TPMT, TYMS, UGT1A8 CYP2D6 33/4885CYP2C19 54/4885CYP1A2 64/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET CYP2D6 2732/4885CYP2C19 2449/4885CYP1A2 3232/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET CYP2D6 2732/4885CYP2C19 2449/4885CYP1A2 3232/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS CYP2D6 979/4885CYP2C19 1443/4885CYP1A2 2368/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET CYP2D6 2732/4885CYP2C19 2449/4885CYP1A2 3232/4885

“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.

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