SCHEMBL4776892

SCHEMBL4776892

Cc1cccc(NC=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
LMNA P02545 2/20 0.44
AKR1B10 O60218 1/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
DHFR P00374 1/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL5514299 0.89 TSHR (0.44) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL9800976 0.82 NPC1 (0.50) MAPTRAB9ATDP1ALDH1A1KDM4E
SCHEMBL225741 0.82 NPC1 (0.50) MAPTRAB9ATDP1ALDH1A1KDM4E
SCHEMBL20193405 0.81 TSHR (0.39) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL9840547 0.81 TSHR (0.39) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL11409022 0.80 NPC1 (0.48) MAPTRAB9ATDP1ALDH1A1KDM4E
SCHEMBL5609677 0.80 KDM5A (0.40) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL13893584 0.79 CYP3A4 (0.50) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL9685869 0.79 TSHR (0.38) KEAP1NFE2L2CYP3A4CYP2D6MAPT
SCHEMBL13412750 0.79 ALDH1A1 (0.50) KEAP1NFE2L2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
CN-106380414-B A kind of mefenamic acid and its synthesis technology 西安利君精华药业有限责任公司 2018-07-03 CN disclosed
CN-106380414-A Mefenamic acid and synthesis technology thereof 西安利君精华药业有限责任公司 2017-02-08 CN disclosed
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed
CN-104231744-A Ink, ink cartridge, ink jet recording device, ink jet ink printed matter, compound, and composition RICOH CO LTD 2014-12-24 CN disclosed
US-8455252-B2 Materials and methods for sensitizing multidrug resistant cells INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2013-06-04 US disclosed
US-8455252-B2 Materials and methods for sensitizing multidrug resistant cells INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2013-06-04 US disclosed
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-4029609-A HEAT RESISTANCE TOYO BOSEKI KABUSHIKI KAISHA (JA) 1977-06-14 US 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 KEAP1 904/4885NFE2L2 2520/4885CYP3A4 3729/4885

“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.