SCHEMBL3585335

SCHEMBL3585335

CN1c2ccc(N)cc2NC(=O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HSPA9 P38646 1/20 0.39
CA9 Q16790 1/20 0.37
CYP19A1 P11511 2/20 0.36
ATAD2 Q6PL18 2/20 0.36
HTR6 P50406 1/20 0.35
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
APEX1 P27695 1/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
APAF1 O14727 1/20 0.34
BRPF1 P55201 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
PARP1 P09874 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
SCHEMBL3591085 0.87 NR1H2 (0.37) NR1H2NR1H3HSPA9CA9CYP19A1
SCHEMBL13382907 0.78 HTR6 (0.37) HSPA9ATAD2HTR6L3MBTL1PDK2
SCHEMBL5513606 0.72 NR1H2 (0.39) NR1H2NR1H3HSPA9CA9CYP19A1
SCHEMBL496554 0.72 PDK2 (0.55) CA9ATAD2HTR6KMT2AKDM4E
SCHEMBL30539488 0.72 PDK2 (0.55) CA9ATAD2HTR6KMT2AKDM4E
Hydrochloric Acid SCHEMBL7276702 0.70 PDK2 (0.53) CA9ATAD2HTR6KMT2AKDM4E
SCHEMBL3596380 0.70 CA9 (0.40) CA9CYP19A1HTR6KMT2AKDM4E
SCHEMBL3594074 0.70 CA9 (0.40) CA9CYP19A1HTR6KMT2AKDM4E
SCHEMBL3600186 0.70 CA9 (0.47) NR1H2NR1H3CA9ATAD2KMT2A
SCHEMBL21750723 0.70 HSPA9 (0.65) NR1H2NR1H3HSPA9CYP19A1ATAD2

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 NR1H2 133/4885NR1H3 153/4885HSPA9 3503/4885

“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.