SCHEMBL5850255

SCHEMBL5850255

c1cc2cc(-c3ccc4[nH]ccc4c3)ccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.79
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
AHR P35869 3/20 0.60
NR4A2 P43354 2/20 0.60
CYP2A6 P11509 2/20 0.60
F7 P08709 1/20 0.60
LTA4H P09960 1/20 0.60
F3 P13726 1/20 0.60
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
ALOX15 P16050 1/20 0.60
RAD51 Q06609 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP17A1 P05093 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
NISCH Q9Y2I1 1/20 0.56

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
SCHEMBL30587350 0.89 NPC1 (1.00) NPC1CA12CA1CA2CA9
SCHEMBL446619 0.89 NPC1 (1.00) NPC1CA12CA1CA2CA9
SCHEMBL28210414 0.87 NPC1 (0.96) NPC1CA12CA1CA2CA9
SCHEMBL27500072 0.87 USP2 (0.70) NPC1CA12CA1CA2CA9
SCHEMBL15296270 0.87 NPC1 (0.69) NPC1CA12CA1CA2CA9
SCHEMBL4486564 0.87 AHR (0.70) NPC1CA12CA1CA2CA9
SCHEMBL856313 0.87 AHR (0.70) NPC1CA12CA1CA2CA9
SCHEMBL3462787 0.87 AHR (0.70) NPC1CA12CA1CA2CA9
SCHEMBL2461812 0.85 NPC1 (0.61) NPC1CA12CA1CA2CA9
SCHEMBL20475484 0.85 NPC1 (0.61) NPC1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233922-B2 Process for producing N-(hetero)arylazoles TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-12 US disclosed
US-9233922-B2 Process for producing N-(hetero)arylazoles TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-12 US disclosed
EP-2736881-B1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO PERFUMERY CO LTD (JP) 2015-10-07 EP disclosed
EP-2736881-B1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO PERFUMERY CO LTD (JP) 2015-10-07 EP disclosed
US-20140371461-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-12-18 US disclosed
US-20140371461-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-12-18 US disclosed
WO-2013032035-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-07 WO disclosed
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 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-20140371461-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES CYP3A4, HCN4, PPOX NPC1 3396/4885CA12 2762/4885CA1 1897/4885

“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.