SCHEMBL12762201

SCHEMBL12762201

Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC4CCOCC4)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
AR P10275 1/20 0.52
CCR2 P41597 3/20 0.51
PGR P06401 2/20 0.50
GCK P35557 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
FFAR1 O14842 1/20 0.47
RAF1 P04049 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6014834 0.82 RAB9A (0.67) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL12762202 0.80 MAPT (0.55) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL8737301 0.79 FFAR1 (0.69) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL6014761 0.79 NPC1 (0.67) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL13306317 0.77 PGR (0.71) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL9926370 0.77 NPC1 (0.64) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL14319827 0.77 RAF1 (0.51) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL21345908 0.76 NPC1 (0.80) NPC1SMN1; SMN2TSHRRAB9AGCK
SCHEMBL15474235 0.74 NPC1 (0.76) NPC1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL6014847 0.73 KMT2A (0.65) NPC1SMN1; SMN2TSHRRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897623-B2 FDA Orange book listed patent for sorafenib tosylate; tablets BAYER HEALTHCARE LLC (US) 2011-03-01 US disclosed
US-7897623-B2 FDA Orange book listed patent for sorafenib tosylate; tablets BAYER HEALTHCARE LLC (US) 2011-03-01 US disclosed
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors BAYER HEALTHCARE LLC 2008-01-31 US disclosed
US-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors BAYER HEALTHCARE LLC 2008-01-31 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-20080027061-A1 omega-Carboxy Aryl Substituted Diphenyl Ureas As p38 Kinase Inhibitors MAPK1, MAPK8, MAPK3 NPC1 569/4885SMN1; SMN2 2811/4885TSHR 3645/4885

“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.