SCHEMBL3593737

SCHEMBL3593737

[NH]c1cccc2c1NC(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
SRD5A1 P18405 2/20 0.42
AHR P35869 2/20 0.42
MAPT P10636 1/20 0.39
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
CYP19A1 P11511 3/20 0.37
CRBN Q96SW2 2/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.34
PDK2 Q15119 1/20 0.34
CES1 P23141 1/20 0.33

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
SCHEMBL29410901 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2230502 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2675583 0.77 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6090116 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL434004 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3593739 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764695 0.77 AHR (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293224 0.76 SRD5A1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL29961795 0.76 NPC1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8919270 0.74 NPC1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 NPC1 2542/4885MAPK13 1450/4885MAPK12 2386/4885

“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.