SCHEMBL4698728

SCHEMBL4698728

COc1ccc2[nH]c3c(c2c1)CCn1c(C)nc(-c2ccccc2)c1-3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.66
CYP1A1 P04798 8/20 0.66
CYP1B1 Q16678 8/20 0.66
KDM4E B2RXH2 4/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 2/20 0.66
NPC1 O15118 2/20 0.66
POLB P06746 2/20 0.66
RAB9A P51151 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
ESR1 P03372 1/20 0.66
TP53 P04637 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PDE5A O76074 2/20 0.55
HTR7 P34969 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL14345707 0.81 CYP1A2 (0.65) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4702182 0.81 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL31402832 0.79 CYP1A1 (1.00) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4699582 0.78 CYP1A2 (0.61) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL14345924 0.76 CYP1A2 (0.63) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL14345951 0.75 CYP1A2 (0.57) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL14366527 0.74 MAPK10 (0.58) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4704080 0.74 CYP1A2 (0.58) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL14345762 0.73 CYP1A2 (0.63) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL14345728 0.73 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP claimed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US claimed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 US claimed
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP disclosed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US disclosed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 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-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine GDI2, GDI1, CYP2A7 CYP1A2 37/4885CYP1A1 96/4885CYP1B1 83/4885

“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.