SCHEMBL5623925

SCHEMBL5623925

COc1cccc(C=CC(=O)N2CC(CCl)c3c2cc(N)c2ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
ABL2 P42684 1/20 0.43
ALDH1A1 P00352 3/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL31237464 1.00 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL5623921 1.00 ADH1A (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL74904 0.91 ALDH1A1 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL26322204 0.91 ALDH1A1 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL74903 0.91 ALDH1A1 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL5624650 0.86 ALDH1A1 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL5624641 0.86 ALDH1A1 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL8097983 0.84 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL8097976 0.84 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL14499189 0.81 ALDH1A1 (0.47) ADH1AKITFLT1FLT4KDR

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 8 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
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US claimed
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-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 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-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 (1 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 ADH1A 567/4885KIT 550/4885FLT1 309/4885

“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.