SCHEMBL3591085

SCHEMBL3591085

CN1c2cc(N)ccc2NC(=O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HSPA9 P38646 1/20 0.36
CYP19A1 P11511 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CA9 Q16790 1/20 0.33
BRPF1 P55201 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
PGR P06401 3/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3585335 0.87 NR1H2 (0.40) NR1H2NR1H3HSPA9CYP19A1ATAD2
SCHEMBL3591081 0.80 ATAD2 (0.36) ATAD2L3MBTL1ALDH1A1POLBPDK2
SCHEMBL11997372 0.72 ALDH1A1 (0.39) NR1H2NR1H3HSPA9CYP19A1L3MBTL1
SCHEMBL3899878 0.72 MEN1 (0.42) NR1H2NR1H3L3MBTL1ALDH1A1CA9
SCHEMBL520415 0.72 PDK2 (0.55) ATAD2PDK2PDK4PGR
Hydrochloric Acid SCHEMBL31507926 0.70 PDK2 (0.53) ATAD2PDK2PDK4PGR
SCHEMBL3596380 0.70 CA9 (0.40) CYP19A1HTR6L3MBTL1CA9PDK2
SCHEMBL3594074 0.70 CA9 (0.40) CYP19A1HTR6L3MBTL1CA9PDK2
SCHEMBL3588988 0.70 CYP11B1 (0.53) NR1H2NR1H3ALDH1A1POLBCA9
SCHEMBL30539488 0.68 PDK2 (0.55) ATAD2HTR6L3MBTL1CA9PDK2

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.