SCHEMBL2396852

SCHEMBL2396852

CC(C)(C)OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
KDM4E B2RXH2 4/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.50
EPHX1 P07099 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK14 Q16539 1/20 0.50
MMP8 P22894 1/20 0.49

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
SCHEMBL14220634 0.84 CYP2C19 (0.54) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL4943635 0.84 GAA (0.59) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL2880191 0.84 LMNA (0.54) ALDH1A1HPGDGAARAB9ANPC1
SCHEMBL31680675 0.84 TRPV1 (0.64) KDM4ERAB9AMAPTKMT2AMEN1
SCHEMBL6101638 0.84 NQO2 (0.51) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL487254 0.84 TRPV1 (0.64) KDM4ERAB9AMAPTKMT2AMEN1
SCHEMBL29481043 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL4805597 0.83 RXFP1 (0.45) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL5622577 0.83 MEN1 (0.45) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL283066 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EGAARAB9A

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
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
CN-107001274-A It is used as 4 (base of 4 (base of 4 phenyl urea groups naphthalene 1) epoxide pyridine 2) aminobenzoic acid derivatives of P38 kinase inhibitors 瑞斯比维特有限公司 2017-08-01 CN disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
CN-106573914-A Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2017-04-19 CN disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-8017640-B2 Benz-indole and benzo-quinoline derivatives as prodrugs for tumor treatment UNIVERSITY OF BRADFORD (GB) 2011-09-13 US disclosed
US-20070161669-A1 Benz-indole and benzo-quinoline derivatives as prodrugs for tumor treatment SCHOOL OF PHARMACY UNIVERSITY OF LONDON 2007-07-12 US disclosed
US-6608052-B2 An mono or polycyclic aromatic or heteroaromatic carbamate or urea or thiacarbamoyl derivatives; inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20030092702-A1 Novel carbamate and oxamide compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-15 US disclosed
WO-2002096876-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 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 (7 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-20020032195-A1 Compounds useful as anti-inflammatory agents MPO, EPX, PTGES ALDH1A1 391/4885HPGD 117/4885KDM4E 2498/4885
US-20030092702-A1 Novel carbamate and oxamide compounds IFNG, CXCR1, ARG1 ALDH1A1 1014/4885HPGD 354/4885KDM4E 92/4885
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 ALDH1A1 1764/4885HPGD 1002/4885KDM4E 1803/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO ALDH1A1 388/4885HPGD 132/4885KDM4E 3302/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 ALDH1A1 2963/4885HPGD 1804/4885KDM4E 2440/4885
US-20070161669-A1 Benz-indole and benzo-quinoline derivatives as prodrugs for tumor treatment CYP1B1, CYP1A1, RECQL ALDH1A1 216/4885HPGD 229/4885KDM4E 1039/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO ALDH1A1 388/4885HPGD 132/4885KDM4E 3302/4885

“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.