SCHEMBL5031773

SCHEMBL5031773

COc1ccc(Cc2c(C)n(C(C)C)[nH]c2=O)c(F)c1.CS(=O)(=O)O

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33
BMP1 P13497 1/20 0.33
MTNR1B P49286 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL3747730 0.94 KMT2A (0.34) KMT2AALDH1A1LMNAPDE10APTGDR2
SCHEMBL5028719 0.84 LMNA (0.36) LMNAMAPTPOLB
SCHEMBL5033114 0.83 HSD17B10 (0.36) KMT2AALDH1A1LMNAPDE10AKDM4E
SCHEMBL5033155 0.80 KDM4C (0.38) KMT2AALDH1A1LMNAKDM4EHSD17B10
SCHEMBL5030951 0.80 TAAR1 (0.39) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL5035227 0.74 MEN1 (0.36) KMT2AALDH1A1MEN1CHRM4
SCHEMBL14626450 0.73 MTNR1B (0.38) KDM4EMAPTPOLBMTNR1B
SCHEMBL5030966 0.72 POLB (0.38) KMT2AALDH1A1KDM4EMAPTALOX15
SCHEMBL2045392 0.72 GAA (0.42) KMT2APDE10AKDM4EMAPTPOLB
SCHEMBL5030980 0.71 ALDH1A1 (0.33) ALDH1A1

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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 KMT2A 2538/4885ALDH1A1 622/4885LMNA 971/4885

“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.