SCHEMBL3928290

SCHEMBL3928290

CN(CC=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPARG P37231 1/20 0.39
NLRP3 Q96P20 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL19337454 0.80 ALDH1A1 (0.46) HTTALDH1A1TSHRRAB9A
SCHEMBL29954086 0.79 CA12 (0.42) CA12CA2CA9MEN1KMT2A
SCHEMBL9195863 0.79 CA12 (0.44) CA12CA2CA9MEN1KMT2A
SCHEMBL27854759 0.78 APP (0.44) CA12CA2CA9MEN1KMT2A
SCHEMBL27469486 0.78 PYCR1 (0.39) MEN1KMT2AHTTTAAR1ALDH1A1
SCHEMBL2552222 0.78 APP (0.44) MEN1KMT2ATAAR1ALDH1A1RAB9A
SCHEMBL27675658 0.78 CYP2A6 (0.30)
SCHEMBL22137457 0.78 CA12 (0.44) CA12CA2CA9MEN1KMT2A
SCHEMBL29953473 0.78 HTR7 (0.43) MEN1KMT2AHTTALDH1A1GLA
SCHEMBL27913496 0.78 NPC1 (0.47) CA12CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
CN-118271387-A Compositions and methods for treating CNS disorders 萨奇治疗股份有限公司 2024-07-02 CN disclosed
CN-117946202-A Compositions and methods for treating CNS disorders 萨奇治疗股份有限公司 2024-04-30 CN disclosed
CN-111770929-B Compositions and methods for treating CNS disorders 萨奇治疗股份有限公司 2023-12-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2890698-B1 DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-8475981-B2 Image holding member for image forming apparatus, process cartridge, and image forming apparatus FUJI XEROX, CO., LTD. (JP) 2013-07-02 US disclosed
US-20120015290-A1 IMAGE HOLDING MEMBER FOR IMAGE FORMING APPARATUS, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2012-01-19 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (3 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS CA12 3129/4885CA2 3882/4885CA9 2509/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 CA12 4098/4885CA2 4677/4885CA9 3903/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CA12 3926/4885CA2 4389/4885CA9 2980/4885

“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.