SCHEMBL5658982

SCHEMBL5658982

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.46
HDAC4 P56524 11/20 0.46
HDAC1 Q13547 11/20 0.46
HDAC7 Q8WUI4 11/20 0.46
HDAC2 Q92769 11/20 0.46
HDAC10 Q969S8 11/20 0.46
HDAC11 Q96DB2 11/20 0.46
HDAC8 Q9BY41 11/20 0.46
HDAC6 Q9UBN7 11/20 0.46
HDAC9 Q9UKV0 11/20 0.46
HDAC5 Q9UQL6 11/20 0.46
NCOR2 Q9Y618 1/20 0.41
YTHDC1 Q96MU7 4/20 0.39
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL5657868 0.89 HDAC6 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7066667 0.89 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5659853 0.69 IKBKB (0.69) IKBKB
SCHEMBL7875548 0.63 KCNMA1 (0.47) HDAC1ADORA3ADORA2AKCNQ3KCNQ2
SCHEMBL7885303 0.63 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30881671 0.59 SMN1; SMN2 (0.43) NPC1KMT2A
SCHEMBL30881639 0.59 NR1H4 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11840654 0.59 MEN1 (0.60) HDAC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5999067 0.57 ALDH1A1 (0.40) HDAC4HDAC1HDAC6YTHDC1NPC1
SCHEMBL5659484 0.57 ADORA2B (0.38) HDAC4HDAC1HDAC6ADORA3ADORA2A

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 5 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

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 HDAC3 255/4885HDAC4 411/4885HDAC1 304/4885
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 HDAC3 222/4885HDAC4 350/4885HDAC1 287/4885

“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.