SCHEMBL21708002

SCHEMBL21708002

CC(C)(C)c1csc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.71
NPC1 O15118 4/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 2/20 0.64
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
KDM1A O60341 1/20 0.56
ESR1 P03372 1/20 0.54
HPGD P15428 1/20 0.54
FFAR2 O15552 1/20 0.52
ALOX5 P09917 4/20 0.51
VCP P55072 2/20 0.51
MAPK1 P28482 2/20 0.51
DEGS1 O15121 1/20 0.51
MAP4K4 O95819 1/20 0.51

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
SCHEMBL21708025 0.87 CCR4 (0.76) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL29274278 0.84 ALOX5 (0.62) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL5486145 0.83 CCR4 (1.00) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL14625490 0.83 MAPT (0.55) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL5437969 0.83 KDM1A (0.59) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL4561810 0.81 CCR4 (0.68) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL22103784 0.80 RAB9A (0.76) NPC1MEN1MAPTKMT2AALDH1A1
SCHEMBL12603585 0.79 CCR4 (0.64) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL21708018 0.75 CCR4 (1.00) CCR4NPC1MEN1MAPTKMT2A
SCHEMBL20791859 0.75 NPC1 (0.76) NPC1MEN1MAPTKMT2AALDH1A1

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-20200062719-A1 Application of Imidazopyridine Derivatives in Regenerative Medicine UNIVERSITY OF HEIDELBERG (DE) 2020-02-27 US disclosed
EP-3611256-A1 APPLICATION OF IMIDAZOPYRIDINE DERIVATIVES IN REGENERATIVE MEDICINE Universität Heidelberg (DE) 2020-02-19 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-20200062719-A1 Application of Imidazopyridine Derivatives in Regenerative Medicine DOT1L, NSD1, KDM3A CCR4 3403/4885NPC1 4209/4885MEN1 4652/4885

“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.