SCHEMBL13449339

SCHEMBL13449339

Cn1cc(C(=O)NC(C)(C)C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.50
NR4A2 P43354 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.46
ERAP1 Q9NZ08 3/20 0.43
MAOB P27338 1/20 0.42
CDK2 P24941 1/20 0.39
CMA1 P23946 2/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13415458 0.87 CACNA1H (0.52) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL13415459 0.81 NR4A2 (0.64) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL6590142 0.80 MAPT (0.51) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL8355113 0.79 KMT2A (0.63) NR4A2KDM4EKMT2AMAOBCDK2
SCHEMBL13415462 0.77 ALDH1A1 (0.49) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL3131370 0.77 FLT1 (0.47) KDM4EKMT2AERAP1
SCHEMBL9572754 0.76 KCNH2 (0.59) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL8356629 0.75 NR4A2 (0.64) NR4A2KDM4EKMT2A
SCHEMBL13114466 0.75 KDM4E (0.64) CACNA1HNR4A2KDM4EKMT2AMAOB
SCHEMBL4419843 0.74 KMT2A (0.50) CACNA1HNR4A2KDM4EKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US disclosed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 WO 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-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 CACNA1H 2656/4885NR4A2 2827/4885KDM4E 1044/4885

“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.