SCHEMBL19782827

SCHEMBL19782827

Cc1cc(O)nc2sc(N)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NSD1 Q96L73 2/20 0.39
PDPK1 O15530 1/20 0.37
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
GAA P10253 4/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
PRKACA P17612 2/20 0.34
LIMK1 P53667 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34

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
Bromide SCHEMBL28941281 0.98 HTT (0.51) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL5309925 0.81 HSD17B10 (0.52) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL30189823 0.78 HSD17B10 (0.49) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL19782603 0.78 HSD17B10 (0.49) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL30189804 0.75 HSD17B10 (0.46) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL19783030 0.75 HSD17B10 (0.46) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL30421101 0.73 BACE1 (0.50) HTTHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22392567 0.73 BACE1 (0.50) HTTHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5310755 0.72 HSD17B10 (0.43) HTTHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL5315048 0.72 CYP1A2 (0.50) HTTHSD17B10ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 2480/4885HSD17B10 2283/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HTT 2559/4885HSD17B10 2146/4885ALDH1A1 1598/4885

“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.