SCHEMBL1315936

SCHEMBL1315936

CCN1CCN(Cc2ccc(O)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)c2)CC1.CS(=O)(=O)O.CS(=O)(=O)O

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 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.55
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
BACE1 P56817 2/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
ACLY P53396 3/20 0.42

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
SCHEMBL2571414 0.93 HDAC1 (0.55) HDAC1PDCD1CD274BACE1SUCNR1
SCHEMBL1316066 0.93 HDAC1 (0.65) HDAC1PDCD1CD274BACE1SUCNR1
SCHEMBL1319108 0.91 HDAC1 (0.49) HDAC1ACLY
SCHEMBL1317891 0.90 HDAC1 (0.52) HDAC1BACE1SUCNR1ACLY
SCHEMBL1319109 0.90 HDAC1 (0.64) HDAC1BACE1NPC1TP53RAB9A
SCHEMBL1317664 0.90 HDAC1 (0.64) HDAC1BACE1
SCHEMBL1316154 0.90 HDAC1 (0.61) HDAC1PDCD1CD274BACE1SUCNR1
SCHEMBL12117913 0.89 HDAC1 (0.59) HDAC1PDCD1CD274BACE1SUCNR1
SCHEMBL2569866 0.89 HDAC1 (0.69) HDAC1PDCD1CD274BACE1SUCNR1
SCHEMBL1319172 0.89 HDAC1 (0.55) HDAC1BACE1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 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-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 HDAC1 73/4885PDCD1 4497/4885CD274 4426/4885

“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.