SCHEMBL4704080

SCHEMBL4704080

COc1ccc2[nH]c3c(c2c1)CCn1c-3cnc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.58
KDM4E B2RXH2 7/20 0.58
KMT2A Q03164 4/20 0.58
HTR7 P34969 4/20 0.58
CYP2D6 P10635 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 3/20 0.58
CYP3A4 P08684 3/20 0.58
CASP1 P29466 3/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
RECQL P46063 2/20 0.58
HTR6 P50406 2/20 0.58
ALOX15 P16050 2/20 0.58
CYP1A1 P04798 5/20 0.58
CYP1B1 Q16678 5/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
POLB P06746 3/20 0.58

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
SCHEMBL4701421 0.93 CYP1A2 (0.54) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL4699582 0.86 CYP1A2 (0.61) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL4699107 0.86 CYP1A2 (0.46) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL5943555 0.85 ALDH1A1 (0.50) CYP1A2KDM4EKMT2AMEN1CYP1A1
SCHEMBL4699371 0.85 CYP1A2 (0.53) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL4699401 0.84 CYP1A2 (0.51) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL14425117 0.83 CYP1A1 (0.49) CYP1A2KDM4EKMT2AHTR7MEN1
SCHEMBL14345924 0.83 CYP1A2 (0.63) CYP1A2KDM4EKMT2AHTR7CYP2D6
SCHEMBL4704488 0.79 ALDH1A1 (0.46) CYP1A2KDM4EKMT2AMEN1CYP1A1
SCHEMBL4701411 0.78 KDM4E (0.56) CYP1A2KDM4EKMT2AHTR7CYP2D6

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
WO-2008125658-A1 4,5,11,11A-TETRAHYDRO-1H,6H-OXAZOLO[3',4':1,6]PYRIDO[3,4-B]INDOL-3-ONE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2008-10-23 WO disclosed
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
WO-2007101863-A1 THERAPEUTIC COMBINATION OF A 5HT2 RECEPTOR ANTAGONIST AND OF A 5HT2 RECEPTOR ACTIVATOR MACEF (FR) 2007-09-13 WO 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 37/4885KDM4E 2939/4885KMT2A 789/4885

“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.