SCHEMBL5622947

SCHEMBL5622947

COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.54
HSP90AA1 P07900 1/20 0.54
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ADH1A P07327 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ABL2 P42684 1/20 0.40
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CFD P00746 6/20 0.35
HRH4 Q9H3N8 2/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL31294373 1.00 P4HB (0.54) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL5624264 1.00 P4HB (0.54) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL5623207 1.00 P4HB (0.54) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL22512607 0.92 P4HB (0.54) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL12596879 0.92 P4HB (0.54) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL14499186 0.92 P4HB (0.53) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL12596916 0.92 P4HB (0.53) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL13822019 0.91 P4HB (0.55) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL31238398 0.91 P4HB (0.55) P4HBHSP90AA1KDM4EALDH1A1LMNA
SCHEMBL12596987 0.91 P4HB (0.55) P4HBHSP90AA1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 EP claimed
US-20050148651-A1 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) 2005-07-07 US claimed
WO-2003097635-A1 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) 2003-11-27 WO claimed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US claimed
WO-2020157662-A1 DUOCARMYCIN ANALOGUES AUCKLAND UNISERVICES LIMITED (NZ) 2020-08-06 WO disclosed
EP-2830614-B1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS SCRIPPS RESEARCH INST (US) 2017-04-26 EP disclosed
US-9139596-B2 Cyclic prodrugs of duocarmycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-22 US disclosed
US-20150057270-A1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 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
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-20050148651-A1 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) 2005-07-07 US disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 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-20050148651-A1 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 CBR3, ANPEP, CBR1 P4HB 344/4885HSP90AA1 3630/4885KDM4E 661/4885
US-20150057270-A1 CYCLIC PRODRUGS OF DUOCARMYCIN ANALOGS DCK, DCTD, DUT P4HB 536/4885HSP90AA1 2627/4885KDM4E 902/4885
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 P4HB 692/4885HSP90AA1 3401/4885KDM4E 1215/4885

“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.