SCHEMBL19782902

SCHEMBL19782902

COc1cc(C(O)C2CC2)c2nc(Br)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
MAPT P10636 3/20 0.32
ACHE P22303 1/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
MPI P34949 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
IDO1 P14902 3/20 0.31
TDO2 P48775 3/20 0.31

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
SCHEMBL19783590 0.95 NPC1 (0.35) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19783149 0.94 NPC1 (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19783494 0.82 ATAD2 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30189887 0.79 ALDH1A1 (0.36) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL21396119 0.79 ALDH1A1 (0.36) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL19783331 0.78 ATAD2 (0.32) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19783135 0.78 CYP3A4 (0.39) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL30189901 0.78 CYP3A4 (0.39) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL21379431 0.76 ATAD2 (0.31) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19783102 0.76 NPC1 (0.41) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 2639/4885RAB9A 667/4885MAPT 1432/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NPC1 2194/4885RAB9A 748/4885MAPT 1155/4885

“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.