SCHEMBL6488282

SCHEMBL6488282

COc1ccc(NC(=O)c2ccc(-c3ccc(C(N)=O)cc3)cc2)cc1CCCN(C)C.CS(=O)(=O)O

nearest known ligand 0.66

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
HTR1D known ✓ P28221 3/20 0.66
HTR1B known ✓ P28222 3/20 0.66
HTR2A known ✓ P28223 1/20 0.58
HTR1A known ✓ P08908 1/20 0.48
HTR2C known ✓ P28335 1/20 0.46
USP2 O75604 1/20 0.53
MCHR1 Q99705 8/20 0.53
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KLK7 P49862 1/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL6501152 0.90 HTR1D (0.80) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6500062 0.83 HTR1D (0.74) HTR1DHTR1BHTR2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL6502864 0.82 HTR1D (0.70) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6487377 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6488427 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6498021 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6488322 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6488685 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6498408 0.81 HTR1D (0.81) HTR1DHTR1BHTR2AMCHR1ALDH1A1
SCHEMBL6490991 0.80 HTR1D (0.80) HTR1DHTR1BHTR2AMCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 HTR1D 1697/4885HTR1B 1495/4885HTR2A 2476/4885

“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.