SCHEMBL13605458

SCHEMBL13605458

COc1ccc(-c2cnc(Nc3ccc(CCN4CSCC4C(=O)O)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ CHEK1 O14757 1/20 0.36

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
SCHEMBL1736426 0.85 DGAT1 (0.51) DGAT1SPHK2SPHK1ALDH1A1MEN1
SCHEMBL1735427 0.85 DGAT1 (0.51) DGAT1SPHK2SPHK1ALDH1A1MEN1
SCHEMBL13605475 0.84 SPHK2 (0.43) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605484 0.82 CDK1 (0.40) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605453 0.82 HDAC3 (0.44) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605462 0.82 SPHK2 (0.41) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605464 0.81 SPHK2 (0.46) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605457 0.81 CDK1 (0.39) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605482 0.80 CDK1 (0.38) DGAT1HDAC1HDAC3HDAC2HDAC6
SCHEMBL13605477 0.80 SPHK2 (0.45) DGAT1HDAC1HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 — — US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 — — US disclosed
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-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 — — US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 — — 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
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 — — 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 (6 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DGAT1 3992/4885HDAC1 1367/4885HDAC3 1430/4885

“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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