SCHEMBL5992845

SCHEMBL5992845

CCCCCN1C=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
NPC1 O15118 6/20 0.32
RAB9A P51151 6/20 0.32
HTT P42858 5/20 0.32
LMNA P02545 3/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PABPC1 P11940 1/20 0.32
ALOX5 P09917 2/20 0.31
GALR3 O60755 2/20 0.31
POLB P06746 2/20 0.31
ATM Q13315 2/20 0.31

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
SCHEMBL11355995 0.96 LTA4H (0.35) LTA4HL3MBTL1GNAI3GNAO1GNAI1
SCHEMBL371279 0.94 GNAI3 (0.33) LTA4HGNAI3GNAO1GNAI1NPC1
SCHEMBL28042239 0.88 CYP1A2 (0.30)
SCHEMBL5174927 0.86 GNAI3 (0.35) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL23912452 0.84 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27451155 0.84 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
Bromide SCHEMBL29130097 0.84 NPC1 (0.36) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27616893 0.84 GNAI3 (0.34) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL28282304 0.84 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A
SCHEMBL27450698 0.84 GNAI3 (0.38) GNAI3GNAO1GNAI1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992079-B2 Substituted 11-phenyl-dibenzazepine compounds useful for the treatment or prevention of diseases characterized by abnormal cell proliferation President Fellows of Harvard College (US) 2006-01-31 US disclosed
US-20040002486-A1 Substituted 11-phenyl-dibenzazepine compounds useful for the treatment or prevention of diseases characterized by abnormal cell proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-01-01 US disclosed
US-20030191111-A1 Substituted 11-phenyl-dibenzazepine compounds useful for the treatment or prevention of diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION 2003-10-09 US disclosed
US-20030134842-A1 METHODS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES CHARACTERIZED BY ABNORMAL CELL PROLIFERATION BRUGNARA CARLO (US) 2003-07-17 US disclosed
US-6534497-B1 Specific, potent and safe inhibitors of mammalian cell proliferation. The compounds can be used to inhibit mammalian cell proliferation in situ as a therapeutic approach towards the treatment or prevention of diseases characterized by NUCHEM PHARMACEUTICALS, INC. (CA) 2003-03-18 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-20040002486-A1 Substituted 11-phenyl-dibenzazepine compounds useful for the treatment or prevention of diseases characterized by abnormal cell proliferation MKI67, BOD1L1, BRCA1 LTA4H 3774/4885L3MBTL1 185/4885GNAI3 2774/4885
US-20030191111-A1 Substituted 11-phenyl-dibenzazepine compounds useful for the treatment or prevention of diseases characterized by abnormal cell proliferation MKI67, BOD1L1, BRCA1 LTA4H 3774/4885L3MBTL1 185/4885GNAI3 2774/4885
US-20030134842-A1 METHODS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES CHARACTERIZED BY ABNORMAL CELL PROLIFERATION KCNN2, KCNN1, KCNN3 LTA4H 1166/4885L3MBTL1 3651/4885GNAI3 542/4885

“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.