SCHEMBL19782968

SCHEMBL19782968

COC(=O)c1c(C)c(OC)cc2sc(Br)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL19783111 0.85 CISD2 (0.46) CISD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL19783068 0.79 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20031462 0.77 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19782781 0.75 MAPT (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19782758 0.74 PRKDC (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19782745 0.74 NPC1 (0.41) MAPTKMT2APKML3MBTL1NPSR1
SCHEMBL19783185 0.74 MAPT (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8781327 0.74 RAB9A (0.43) HDAC1MAPTL3MBTL1ALDH1A1DYRK1A
SCHEMBL19783679 0.73 MAPT (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9957845 0.72 PIK3CA (0.44) HDAC1MAPTKMT2AL3MBTL1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CISD2 4312/4885HDAC3 208/4885HDAC4 212/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CISD2 4469/4885HDAC3 192/4885HDAC4 292/4885

“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.