SCHEMBL13713527

SCHEMBL13713527

C=C(NNC(=O)c1ccc(CC)cc1)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PLK1 P53350 1/20 0.50
▸ GAA P10253 8/20 0.47
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13612622 0.85 ALDH1A1 (0.71) ALDH1A1TDP1PLK1GAAPOLB
SCHEMBL13662535 0.78 PLK1 (0.49) ALDH1A1TDP1PLK1LMNAHPGD
SCHEMBL13662611 0.76 PTPRC (0.54) ALDH1A1TDP1PLK1POLBNPC1
SCHEMBL7588248 0.76 ALDH1A1 (0.55) ALDH1A1TDP1PLK1POLBLMNA
SCHEMBL7038117 0.74 ALDH1A1 (0.60) ALDH1A1TDP1PLK1GAAPOLB
SCHEMBL2937892 0.73 ALDH1A1 (0.54) ALDH1A1TDP1GAAPOLBSMN1; SMN2
SCHEMBL12788785 0.72 PLK1 (0.49) ALDH1A1TDP1PLK1NPC1HPGD
SCHEMBL17623696 0.71 ALDH1A1 (0.49) ALDH1A1TDP1PLK1GAAPOLB
SCHEMBL678546 0.71 PLK1 (0.63) ALDH1A1TDP1PLK1GAAPOLB
SCHEMBL12156866 0.70 LMNA (0.58) ALDH1A1TDP1PLK1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 — — US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 — — US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 — — US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 — — 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 (3 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-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885TDP1 2495/4885PLK1 2451/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885TDP1 2495/4885PLK1 2451/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885TDP1 2495/4885PLK1 2451/4885

“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.

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