SCHEMBL13612622

SCHEMBL13612622

CCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ PLK1 P53350 1/20 0.53
▸ GAA P10253 7/20 0.49
▸ POLB P06746 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2937892 0.88 ALDH1A1 (0.54) ALDH1A1TDP1GAAPOLBSMN1; SMN2
SCHEMBL13713527 0.85 ALDH1A1 (0.59) ALDH1A1TDP1PLK1GAAPOLB
SCHEMBL2505911 0.84 ALDH1A1 (0.53) ALDH1A1TDP1GAAPOLBNPC1
SCHEMBL1477613 0.83 MIF (0.50) ALDH1A1TDP1GAAPOLBSMN1; SMN2
SCHEMBL13713598 0.83 ALDH1A1 (0.49) ALDH1A1TDP1GAAPOLBSMN1; SMN2
SCHEMBL2832940 0.82 MEN1 (0.57) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL13605085 0.82 MAPT (0.63) ALDH1A1TDP1GAAPOLBSMN1; SMN2
SCHEMBL17680509 0.82 POLB (0.53) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL17172491 0.82 ALDH1A1 (0.66) ALDH1A1TDP1GAASMN1; SMN2NPC1
SCHEMBL2835719 0.81 ALDH1A1 (0.45) ALDH1A1TDP1GAAPOLBLMNA

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 8 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-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 (5 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 ALDH1A1 1472/4885TDP1 2495/4885PLK1 2451/4885
US-20090264649-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-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-20070149538-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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