SCHEMBL19783109

SCHEMBL19783109

CC(C)(C)C(=O)c1cc(O)cc2sc(N)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD1 Q96L73 2/20 0.42
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
PDPK1 O15530 1/20 0.37
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.34
FBP1 P09467 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL30189877 1.00 NSD1 (0.42) NSD1GAAHTTHSD17B10L3MBTL1
SCHEMBL30189869 0.82 ALDH1A1 (0.32) GAAALDH1A1NPC1RAB9A
SCHEMBL19783636 0.82 ALDH1A1 (0.32) GAAALDH1A1NPC1RAB9A
SCHEMBL21379708 0.82 CYP3A4 (0.44) NSD1GAAHSD17B10ALDH1A1LMNA
SCHEMBL21396110 0.82 HSD17B10 (0.38) NSD1GAAHTTHSD17B10NSD2
SCHEMBL19783633 0.74 MAPT (0.41) NSD1HTTHSD17B10L3MBTL1ALDH1A1
SCHEMBL28941166 0.73 MAPT (0.45) GAAHSD17B10ALDH1A1MAPTTP53
SCHEMBL5530542 0.73 HSD17B10 (0.68) NSD1GAAHTTHSD17B10L3MBTL1
SCHEMBL3944486 0.72 NSD1 (0.46) NSD1GAAHTTHSD17B10L3MBTL1
SCHEMBL20319227 0.69 CYP3A4 (0.57) NSD1GAAHTTHSD17B10L3MBTL1

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 NSD1 3520/4885GAA 3912/4885HTT 2480/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NSD1 3382/4885GAA 4373/4885HTT 2559/4885

“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.