SCHEMBL34605

SCHEMBL34605

CC(C)c1cnc2c(Cl)cccc2c1-c1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.53
NR1H3 Q13133 7/20 0.53
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 3/20 0.47
PABPC1 P11940 1/20 0.47
EIF4H Q15056 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL35356 0.89 NR1H2 (0.51) NR1H2NR1H3MAPTTSHRKMT2A
SCHEMBL38526 0.87 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL35630 0.85 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL35835 0.85 NR1H2 (0.50) NR1H2NR1H3MAPTTSHRKMT2A
SCHEMBL35301 0.85 NR1H2 (0.52) NR1H2NR1H3KMT2APABPC1EIF4H
SCHEMBL4011451 0.85 NR1H2 (0.55) NR1H2NR1H3TSHRKMT2AHTT
SCHEMBL35310 0.81 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL45917 0.81 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL35224 0.80 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL35209 0.79 MAPT (0.47) NR1H2NR1H3MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP claimed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 US claimed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO claimed
EP-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP disclosed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO disclosed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 US 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-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MAPT 4413/4885

“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.