SCHEMBL13344922

SCHEMBL13344922

COc1cc2cc(C)[nH]c2c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
LMNA P02545 2/20 0.58
CYP19A1 P11511 3/20 0.47
NQO2 P16083 2/20 0.47
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 2/20 0.39
AXL P30530 1/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL12596867 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL25547290 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL18624686 0.79 KDM4E (0.38) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL14234928 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL27518825 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL3558751 0.77 ALDH1A1 (0.58) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL10908641 0.76 MTNR1A (0.40) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL22300358 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL3558749 0.75 KDM4E (0.56) KDM4EALDH1A1HPGDLMNACYP19A1
SCHEMBL15850980 0.74 AXL (0.39) KDM4EALDH1A1HPGDLMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836494-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-21 EP disclosed
EP-3049420-B1 THIENO[2,3-E]INDOLE DERIVATIVES AS NEW ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-05-15 EP disclosed
US-10266547-B2 Thieno[2,3-e]indole derivatives as new antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-04-23 US disclosed
US-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-16 US disclosed
WO-2012162731-A1 BLOOD STAGE MALARIA VACCINE GRIFFITH UNIVERSITY (AU) 2012-12-06 WO disclosed
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 US disclosed
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 US disclosed
WO-2009064913-A1 CHIMER CONTAINING A TARGETING PORTION LINKED TO A SCISSION-ACTIVATED DUOCARMYCIN-TYPE PRODRUG THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 US disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 US disclosed
WO-2008050140-A2 COMPOUNDS FOR TREATMENT OF PARASITIC INFECTION SPIROGEN LIMITED (GB) 2008-05-02 WO disclosed
US-7235578-B2 Processes for preparing 3-substituted 1-(chloromethyl)-1,2-dihydro-3H-[ring fused indol-5-yl-(amine-derived)] compounds and analogues thereof, and to products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2007-06-26 US disclosed
US-7235578-B2 Processes for preparing 3-substituted 1-(chloromethyl)-1,2-dihydro-3H-[ring fused indol-5-yl-(amine-derived)] compounds and analogues thereof, and to products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2007-06-26 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 (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-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A KDM4E 856/4885ALDH1A1 77/4885HPGD 16/4885
US-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME INMT, TYMP, TOP1 KDM4E 548/4885ALDH1A1 983/4885HPGD 1478/4885
US-10266547-B2 Thieno[2,3-e]indole derivatives as new antitumor agents INMT, TOP2A, TOP1 KDM4E 371/4885ALDH1A1 1221/4885HPGD 2521/4885

“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.