SCHEMBL5624641

SCHEMBL5624641

COc1cccc(/C=C/C(=O)N2CC(CCl)c3c2cc([N+](=O)[O-])c2ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAOA P21397 1/20 0.44
COMT P21964 1/20 0.44
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
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
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BACE1 P56817 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
SCHEMBL5624650 1.00 ALDH1A1 (0.44) ALDH1A1MAOACOMTMAPTLMNA
SCHEMBL5623921 0.86 ADH1A (0.43) ALDH1A1MAOAL3MBTL1ADH1AKIT
SCHEMBL5623925 0.86 ADH1A (0.43) ALDH1A1MAOAL3MBTL1ADH1AKIT
SCHEMBL31237464 0.86 ADH1A (0.43) ALDH1A1MAOAL3MBTL1ADH1AKIT
SCHEMBL6205394 0.85 ADH1A (0.39) ALDH1A1MAPTL3MBTL1MAPK1ADH1A
SCHEMBL6205398 0.85 ADH1A (0.39) ALDH1A1MAPTL3MBTL1MAPK1ADH1A
SCHEMBL14499189 0.79 ALDH1A1 (0.47) ALDH1A1MAPTLMNAADH1AKIT
SCHEMBL74903 0.77 ALDH1A1 (0.46) ALDH1A1MAPTLMNAADH1AKIT
SCHEMBL26322204 0.77 ALDH1A1 (0.46) ALDH1A1MAPTLMNAADH1AKIT
SCHEMBL3564259 0.77 BACE1 (0.45) ALDH1A1MAPTLMNAL3MBTL1BACE1

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 ALDH1A1 437/4885MAOA 442/4885COMT 250/4885

“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.