SCHEMBL19782957

SCHEMBL19782957

COC(=O)c1cc(OC)nc2sc(N)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 8/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 3/20 0.41
PKM P14618 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
RCE1 Q9Y256 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
NQO2 P16083 1/20 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
SCHEMBL30189925 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1HPGDPKM
SCHEMBL19783355 0.84 L3MBTL1 (0.50) ALDH1A1KDM4EL3MBTL1HPGDKMT2A
SCHEMBL30189726 0.84 L3MBTL1 (0.50) ALDH1A1KDM4EL3MBTL1HPGDKMT2A
SCHEMBL30189804 0.75 HSD17B10 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL19783030 0.75 HSD17B10 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL30420380 0.74 BACE1 (0.43) ALDH1A1KDM4EL3MBTL1HPGDPKM
SCHEMBL25942044 0.74 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1HPGDPKM
SCHEMBL19782407 0.74 CYP3A4 (0.47) ALDH1A1KDM4EHPGDPKMGAA
SCHEMBL22392664 0.74 BACE1 (0.43) ALDH1A1KDM4EL3MBTL1HPGDPKM
SCHEMBL9619834 0.72 HSD17B10 (0.55) ALDH1A1KDM4EL3MBTL1HPGDPKM

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 ALDH1A1 1618/4885KDM4E 1865/4885L3MBTL1 1728/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885KDM4E 2420/4885L3MBTL1 1998/4885

“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.