SCHEMBL5962347

SCHEMBL5962347

CC(C)(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GLS O94925 1/20 0.48

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
SCHEMBL9625482 0.87 CHRM2 (0.63) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL26077666 0.87 ALDH1A1 (0.47) CHRM2ALDH1A1MEN1KMT2ACA12
SCHEMBL7286379 0.85 CHRM2 (0.53) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL13484325 0.83 ALDH1A1 (0.52) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL28964583 0.83 CHRM2 (0.51) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL5681593 0.83 CHRM2 (0.51) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL30214381 0.83 CHRM2 (0.51) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL3170290 0.83 ALDH1A1 (0.52) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL16715916 0.82 CHRM2 (0.50) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL799700 0.82 CHRM2 (0.58) CHRM2ALDH1A1MEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
WO-2022167637-A1 PROCESS FOR MODIFYING AN AROMATIC POLYETHER BACKBONE AND A MODIFIED POLYETHER OBTAINED BY THIS PROCESS Technische Universität Berlin (DE) 2022-08-11 WO disclosed
US-20220162235-A1 LUMINESCENT SILAFLUORENE AND GERMAFLUORENE COMPOUNDS NATIONAL SCIENCE FOUNDATION 2022-05-26 US disclosed
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES UNIVERSITY OF THE SCIENCES (US) 2020-12-31 US disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-26 US disclosed
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 US disclosed
US-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2010-01-14 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (14 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CHRM2 55/4885ALDH1A1 2674/4885MEN1 761/4885
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles TXN2, ABCB7, TXN CHRM2 4366/4885ALDH1A1 967/4885MEN1 1702/4885
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES ABCB7, TXN2, PRDX3 CHRM2 4054/4885ALDH1A1 792/4885MEN1 2040/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM2 4368/4885ALDH1A1 955/4885MEN1 619/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 CHRM2 4856/4885ALDH1A1 786/4885MEN1 2788/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 CHRM2 4722/4885ALDH1A1 320/4885MEN1 4444/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 CHRM2 3245/4885ALDH1A1 288/4885MEN1 1748/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM2 4712/4885ALDH1A1 764/4885MEN1 888/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 CHRM2 4077/4885ALDH1A1 682/4885MEN1 2729/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX CHRM2 2060/4885ALDH1A1 2251/4885MEN1 210/4885
US-20220162235-A1 LUMINESCENT SILAFLUORENE AND GERMAFLUORENE COMPOUNDS SLCO2A1, GLO1, GLMN CHRM2 4459/4885ALDH1A1 1331/4885MEN1 2475/4885
US-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE MEN1, CYP2F1, CYP4F11 CHRM2 3470/4885ALDH1A1 2915/4885MEN1 1/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM2 4712/4885ALDH1A1 764/4885MEN1 888/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 CHRM2 3176/4885ALDH1A1 750/4885MEN1 2599/4885

“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.