SCHEMBL9686186

SCHEMBL9686186

CCN(CC)C(=O)c1ccc(C)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.71
HSP90AB1 P08238 5/20 0.71
HPGD P15428 8/20 0.66
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.50
MAPT P10636 1/20 0.49
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 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
SCHEMBL14426602 0.86 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL11819690 0.86 TSHR (0.77) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL471665 0.84 HPGD (0.72) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL487099 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL20235203 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL26921544 0.81 HSP90AA1 (0.69) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL11700283 0.81 HSP90AA1 (0.69) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL18661938 0.81 HPGD (0.68) HSP90AA1HSP90AB1HPGDTSHRTDP1
SCHEMBL12599208 0.80 NPC1 (0.49) HSP90AA1HSP90AB1HPGDMEN1KMT2A
SCHEMBL471664 0.79 HPGD (0.66) HSP90AA1HSP90AB1HPGDTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
US-5122608-A Hydrolysis ofa 2,3-pyridine- or quinolinedicarboxylic acid diester with water and a acid having an ionization constant of 3; treating with a base and separating AMERICAN CYANAMID COMPANY (US) 1992-06-16 US disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
US-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 US disclosed
EP-0133311-A2 Substituted imidazolinyl benzoic acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 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-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B HSP90AA1 723/4885HSP90AB1 672/4885HPGD 2406/4885

“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.