SCHEMBL20683086

SCHEMBL20683086

CSc1nc2cccc(F)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
PARP1 P09874 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRL1 P41146 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL374824 0.81 HPGD (0.42) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL5142221 0.77 PARP1 (0.59) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL22648457 0.76 PARP1 (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23278130 0.76 CA12 (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL18757861 0.75 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1PARP1
SCHEMBL6939187 0.74 PIM1 (0.47) SMN1; SMN2NPC1RAB9APARP1KDM4E
SCHEMBL27500905 0.74 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1HPGDL3MBTL1
SCHEMBL9306736 0.73 CA12 (0.40) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9305632 0.73 CA12 (0.40) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL31122397 0.73 NUDT1 (0.48) NPC1RAB9AALDH1A1PARP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 US 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 (1 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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 SMN1; SMN2 303/4885NPC1 551/4885RAB9A 796/4885

“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.