SCHEMBL4702154

SCHEMBL4702154

CS(=O)(=O)O.Cc1ncc2n1CCc1c-2[nH]c2ccc(Cl)cc12

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.44
HTR2A known ✓ P28223 1/20 0.44
CYP1A1 P04798 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP1B1 Q16678 5/20 0.46
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL14425117 0.92 CYP1A1 (0.49) CYP1A1CYP1A2CYP1B1HTR1AHTR2A
SCHEMBL4704488 0.89 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1KDM4ELMNA
SCHEMBL4703977 0.88 CYP1A2 (0.46) CYP1A1CYP1A2CYP1B1KDM4ELMNA
SCHEMBL4699100 0.88 BCHE (0.42) CYP1A1CYP1A2CYP1B1KDM4EGAA
SCHEMBL4704159 0.86 HSD17B10 (0.38) CYP1A1CYP1A2CYP1B1HTR1AHTR2A
SCHEMBL4699148 0.86 BCHE (0.53) CYP1A1CYP1A2CYP1B1HTR1AHTR2A
SCHEMBL4701421 0.86 CYP1A2 (0.54) CYP1A1CYP1A2CYP1B1HTR2AHTR7
SCHEMBL4699107 0.81 CYP1A2 (0.46) CYP1A1CYP1A2CYP1B1HTR2AHTR7
SCHEMBL5943555 0.81 ALDH1A1 (0.50) CYP1A1CYP1A2CYP1B1KDM4ELMNA
SCHEMBL4702510 0.78 BAZ2B (0.41) CYP1A2KDM4ELMNAGAAKMT2A

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 HTR1A 226/4885HTR2A 311/4885CYP1A1 96/4885

“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.