SCHEMBL6404447

SCHEMBL6404447

C=CCc1ccc2c(CC=C)c(OC)cc(NC(C)CCCN)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 15/20 0.45
MAOB P27338 15/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
CASP1 P29466 2/20 0.45
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NQO2 P16083 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
SLC6A4 P31645 1/20 0.45
SHMT2 P34897 1/20 0.45

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
SCHEMBL6404703 0.81 MAOA (0.62) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL6288597 0.80 MEN1 (0.45) KDM4EHTR1AALDH1A1NSD2MAPT
SCHEMBL5083304 0.75 MAOA (0.49) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL5080779 0.74 HSP90AA1 (0.53) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL5086467 0.71 HSP90AA1 (0.51) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL4781180 0.69 HSP90AA1 (0.42) MAOAMAOBKDM4ECYP1A2ABCB11
SCHEMBL6280245 0.68 ALDH1A1 (0.39) KDM4ECYP1A2PTGS1PDE4APDE4D
SCHEMBL4726521 0.68 MAOA (0.44) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL4729708 0.68 MAOA (0.67) MAOAMAOBKDM4ECYP1A2CASP1
SCHEMBL5084097 0.67 MAOA (0.43) MAOAMAOBKDM4ECYP1A2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 MAOA 1689/4885MAOB 1536/4885KDM4E 64/4885

“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.