SCHEMBL3591081

SCHEMBL3591081

CN1c2cc([NH])ccc2NC(=O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
PGR P06401 6/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HK1 P19367 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
AKR1B1 P15121 5/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MDM4 O15151 1/20 0.30
MAPT P10636 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL3585333 0.87 ATAD2 (0.36) ATAD2L3MBTL1PDK2PDK4PGR
SCHEMBL3591085 0.80 NR1H2 (0.37) ATAD2L3MBTL1PDK2PDK4PGR
SCHEMBL3596379 0.72 MGAT2 (0.37) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL3594073 0.72 MGAT2 (0.37) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL3588987 0.70 CYP11B1 (0.53) PGRTDP1POLBALDH1A1MAPK1
SCHEMBL3585335 0.70 NR1H2 (0.40) ATAD2L3MBTL1PDK2PDK4TDP1
SCHEMBL13382907 0.68 HTR6 (0.37) ATAD2L3MBTL1PDK2PDK4ALDH1A1
SCHEMBL3599451 0.67 PDK2 (0.44) ATAD2L3MBTL1PDK2PDK4PGR
SCHEMBL3606355 0.67 PDK2 (0.36) L3MBTL1PDK2PDK4AKR1B1ALDH1A1
SCHEMBL3594228 0.64 BRD4 (0.35) PDK2PDK4PGRPDE3BPDE3A

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 ATAD2 1819/4885L3MBTL1 1176/4885PDK2 3637/4885

“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.