SCHEMBL5657868

SCHEMBL5657868

C=CCn1cnc2c(Cl)nc(Cl)c(NC(=O)c3ccc(F)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC4 P56524 8/20 0.44
HDAC3 O15379 7/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC10 Q969S8 7/20 0.44
HDAC11 Q96DB2 7/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC9 Q9UKV0 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
BACE1 P56817 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL5658982 0.89 HDAC3 (0.46) HDAC6HDAC1HDAC2HDAC4HDAC3
SCHEMBL7066667 0.86 HDAC1 (0.37) HDAC6HDAC1HDAC2HDAC4HDAC3
SCHEMBL5659484 0.68 ADORA2B (0.38) HDAC6HDAC1HDAC4NPC1ADORA3
SCHEMBL5999067 0.63 ALDH1A1 (0.40) HDAC6HDAC1HDAC4NPC1ALDH1A1
SCHEMBL2054791 0.60 HSP90AB1 (0.52) HDAC6HDAC1HDAC4
SCHEMBL30881639 0.60 NR1H4 (0.57) HDAC6HDAC1HDAC2HDAC4HDAC3
SCHEMBL29601580 0.60 P2RX7 (0.48) HDAC6HDAC1HDAC2HDAC4HDAC3
SCHEMBL1355050 0.60 P2RX7 (0.48) HDAC6HDAC1HDAC2HDAC4HDAC3
SCHEMBL7875548 0.59 KCNMA1 (0.47) HDAC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL655757 0.59 MITF (0.53) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same PITTS WILLIAM J 2006-09-28 US disclosed
US-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2005-05-12 US disclosed
WO-2004106293-A2 OXAZOLYL - AND THIAZOLYL - PURINE BASED TRICYCLIC COMPOUNDS. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO 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 (2 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-20050101626-A1 Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 HDAC6 971/4885HDAC1 304/4885HDAC2 583/4885
US-20060217412-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 HDAC6 780/4885HDAC1 287/4885HDAC2 492/4885

“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.