SCHEMBL16248193

SCHEMBL16248193

CC(C)c1cc(Cl)c(Cl)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
GABRA1 P14867 6/20 0.43
GABRB1 P18505 4/20 0.43
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GABRB2 P47870 4/20 0.34
SLC6A2 P23975 2/20 0.32
HTR2B P41595 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL15631284 0.75 GABRA1 (0.43) LMNAGABRA1GABRB1CA1CA2
SCHEMBL1168410 0.72 HSD17B10 (0.39) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL29846179 0.72 HSD17B10 (0.39) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL17703481 0.71 CYP3A4 (0.37) LMNAHTR2BCHRM1ADRA1ACYP1A2
Ammonia Solution, Strong SCHEMBL25394725 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL9487109 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL9487102 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL30097824 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A
Ammonia Solution, Strong SCHEMBL30585161 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A
SCHEMBL28495261 0.70 HSD17B10 (0.38) LMNASLC6A2HTR2BCHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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 (2 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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 LMNA 691/4885GABRA1 2729/4885GABRB1 3064/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B LMNA 912/4885GABRA1 2958/4885GABRB1 3211/4885

“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.