SCHEMBL6200324

SCHEMBL6200324

O=C1OCc2cc3c(cc21)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
RECQL P46063 1/20 0.43
PRF1 P14222 1/20 0.43
ALOX5 P09917 4/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
TYMS P04818 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6204829 0.88 CYP3A4 (0.52) CYP3A4KDM4EACHEMAPTLMNA
SCHEMBL30773512 0.86 ALOX5 (0.50) CYP3A4KDM4EACHEMAPTLMNA
SCHEMBL13412837 0.82 CYP3A4 (0.63) CYP3A4KDM4EMAPTLMNAGAA
SCHEMBL31123684 0.77 PKM (0.68) KDM4EACHEMAPTGAAMAOA
SCHEMBL584570 0.75 KDM4E (0.41) CYP3A4KDM4EACHEMAPTLMNA
SCHEMBL17024492 0.73 ALOX5 (0.46) CYP3A4KDM4EACHEMAPTLMNA
SCHEMBL4110876 0.73 ALOX5 (0.47) CYP3A4KDM4EACHEALOX5ALDH1A1
SCHEMBL855514 0.72 CYP3A4 (0.53) CYP3A4KDM4EMAPTLMNAGAA
SCHEMBL78883 0.72 CYP3A4 (0.53) CYP3A4KDM4EMAPTLMNAGAA
SCHEMBL1608218 0.72 CYP3A4 (0.53) CYP3A4KDM4EMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-12 US claimed
WO-2013102935-A2 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO claimed
US-9796753-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-9796753-B2 N-substituted indenoisoquinolines and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-9682990-B2 Alcohol-, diol-, and carbohydrate-substituted indenoisoquinolines as topoisomerase I inhibitors PURDUE RESEARCH FOUNDATION (US) 2017-06-20 US disclosed
US-9682990-B2 Alcohol-, diol-, and carbohydrate-substituted indenoisoquinolines as topoisomerase I inhibitors PURDUE RESEARCH FOUNDATION (US) 2017-06-20 US disclosed
US-20160318946-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20160318946-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-9402842-B2 Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (Tdp1)—topoisomerase I (Top1) inhibitors PURDUE RESEARCH FOUNDATION (US) 2016-08-02 US disclosed
US-8912213-B2 Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (TDP1)- topoisomerase I (TOP1) inhibitors PURDUE RESEARCH FOUNDATION (US) 2014-12-16 US disclosed
US-20130345252-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (TDP1)- TOPOISOMERASE I (TOP1) INHIBITORS PURDUE RESEARCH FOUNDATION 2013-12-26 US disclosed
WO-2013102935-A2 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO disclosed
US-20080257188-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PRODUCTION METHOD OF A PLANOGRAPHIC PRINTNG PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-20080257188-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PRODUCTION METHOD OF A PLANOGRAPHIC PRINTNG PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP 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 (5 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-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR CYP3A4 390/4885KDM4E 2363/4885ACHE 4241/4885
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES SOD1, AOC2, SOD3 CYP3A4 637/4885KDM4E 1973/4885ACHE 2423/4885
US-20160318946-A1 ALCOHOL-, DIOL-, AND CARBOHYDRATE-SUBSTITUTED INDENOISOQUINOLINES AS TOPOISOMERASE I INHIBITORS TOP1, TOP2A, TOP2B CYP3A4 477/4885KDM4E 1131/4885ACHE 591/4885
US-20130345252-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (TDP1)- TOPOISOMERASE I (TOP1) INHIBITORS TDP1, TOP1, TDP2 CYP3A4 1296/4885KDM4E 1092/4885ACHE 763/4885
US-20160229888-A1 N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF GNAQ, NRAS, NPM1 CYP3A4 65/4885KDM4E 926/4885ACHE 1464/4885

“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.