SCHEMBL6795356

SCHEMBL6795356

CS(=O)(=O)O.Cc1ccc(-c2ccccc2C(=O)Nc2ccc(N)cc2)cc1

nearest known ligand 0.55

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
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
OPRL1 P41146 1/20 0.48

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
Hydrochloric Acid SCHEMBL6801121 0.93 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL7085405 0.85 L3MBTL1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL7863451 0.83 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL31393753 0.83 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6793651 0.82 NPC1 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6795828 0.82 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6793972 0.81 RAB9A (0.59) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL7372972 0.80 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL7083823 0.79 POLB (0.61) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6791178 0.78 PTGS1 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 CHRNB2 1763/4885CHRNB4 2366/4885CHRNA3 3192/4885

“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.