SCHEMBL863169

SCHEMBL863169

COC(=O)c1cccc(NC(C)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
ALDH1A1 P00352 3/20 0.69
NPC1 O15118 4/20 0.67
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 2/20 0.61
HTT P42858 1/20 0.60
TSHR P16473 1/20 0.59
HPGD P15428 1/20 0.58
GPR17 Q13304 1/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL12835093 0.86 ALDH1A1 (0.79) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL6444189 0.86 RAB9A (0.61) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL11654124 0.86 RAB9A (0.71) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL474709 0.85 KMT2A (0.70) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL6242208 0.84 RAB9A (0.84) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL308570 0.84 ALDH1A1 (0.77) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL7808621 0.83 SMN1; SMN2 (0.70) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL24027984 0.83 ALDH1A1 (0.64) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL677770 0.83 RAB9A (1.00) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL20323586 0.83 RAB9A (0.72) RAB9AALDH1A1NPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
EP-3359542-B1 SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
US-10882866-B1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-05 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-10717742-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-07-21 US disclosed
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed
CN-107405337-A Substituted chroman and application method 艾伯维公司 2017-11-28 CN disclosed
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
WO-2017060431-A1 SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-13 WO disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
CN-101048388-A Quinazolinone derivatives and their use as B-Raf inhibitors ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-4457940-A Carboxylic acid ester derivatives, process for manufacturing said derivatives, insecticides and acaricides containing said derivatives, and method for killing insects and acarina by treating therewith DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-03 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 (8 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 RAB9A 2978/4885ALDH1A1 401/4885NPC1 2438/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP RAB9A 4148/4885ALDH1A1 1494/4885NPC1 1179/4885
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF RAB9A 786/4885ALDH1A1 1780/4885NPC1 1861/4885
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 RAB9A 1582/4885ALDH1A1 667/4885NPC1 3247/4885
US-10717742-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors TP53, MDM2, FOXM1 RAB9A 1502/4885ALDH1A1 978/4885NPC1 3512/4885
US-10882866-B1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors TP53, MDM2, FOXM1 RAB9A 1417/4885ALDH1A1 700/4885NPC1 3103/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 RAB9A 4301/4885ALDH1A1 2926/4885NPC1 1081/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 RAB9A 4060/4885ALDH1A1 4582/4885NPC1 4837/4885

“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.