SCHEMBL6800481

SCHEMBL6800481

CS(=O)(=O)O.Cc1ccc(-c2cc(C)ccc2C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2ccccn2)cc1

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 5/20 0.40
HTR2A known ✓ P28223 4/20 0.40
EIF2AK3 Q9NZJ5 3/20 0.48
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMO Q99835 2/20 0.41
POLB P06746 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NAMPT P43490 2/20 0.40
HTR2B P41595 4/20 0.40
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL6802672 0.97 EIF2AK3 (0.50) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6667059 0.94 EIF2AK3 (0.48) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6803779 0.92 EIF2AK3 (0.48) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6806302 0.92 EIF2AK3 (0.48) EIF2AK3MAPTSMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL6808953 0.92 EIF2AK3 (0.47) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6798695 0.91 HTR2C (0.49) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6668503 0.91 EIF2AK3 (0.51) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6805146 0.91 EIF2AK3 (0.47) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6799317 0.91 EIF2AK3 (0.47) EIF2AK3MAPTSMN1; SMN2NPC1TP53
SCHEMBL6667964 0.90 EIF2AK3 (0.50) EIF2AK3MAPTSMN1; SMN2NPC1TP53

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 HTR2C 2433/4885HTR2A 2176/4885EIF2AK3 2638/4885

“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.