SCHEMBL6400285

SCHEMBL6400285

CS(=O)(=O)O.Nc1cc(F)ccc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

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 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
BCAT1 P54687 4/20 0.50
GUSB P08236 3/20 0.49
NHERF1 O14745 1/20 0.47
LGALS8 O00214 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL6402152 0.95 MEN1 (0.60) MEN1KMT2ARXFP1BCAT1GUSB
Hydrochloric Acid SCHEMBL6399726 0.94 MEN1 (0.59) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6398213 0.91 BCAT1 (0.50) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6405775 0.90 BCAT1 (0.49) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6399035 0.88 NPC1 (0.56) RXFP1BCAT1
SCHEMBL6404418 0.87 NHERF1 (0.56) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6398780 0.86 MEN1 (0.53) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6404677 0.84 BCAT1 (0.56) MEN1KMT2ARXFP1BCAT1GUSB
SCHEMBL6405111 0.84 RAB9A (0.60) RXFP1HRH4
SCHEMBL6398670 0.83 MEN1 (0.62) MEN1KMT2ARXFP1BCAT1GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 MEN1 1510/4885KMT2A 673/4885RXFP1 920/4885

“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.