SCHEMBL23452001

SCHEMBL23452001

COc1ccc(-c2cc3c(s2)c(C(C)=O)cc(=O)n3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
IKBKB O14920 2/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KDM4E B2RXH2 6/20 0.42
PKM P14618 3/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HPGD P15428 5/20 0.42
CHEK1 O14757 1/20 0.42
PDPK1 O15530 1/20 0.42
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL23451957 0.89 GABRG2 (0.46) LMNAIKBKBNPC1RAB9AKDM4E
SCHEMBL23451958 0.83 KDM4E (0.41) IKBKBNPC1RAB9AKDM4EALDH1A1
SCHEMBL21723989 0.82 NPC1 (0.48) IKBKBNPC1RAB9AKDM4EPKM
SCHEMBL21723987 0.82 NPC1 (0.48) IKBKBNPC1RAB9AKDM4EPKM
SCHEMBL23451952 0.81 FEN1 (0.48) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23452111 0.79 IKBKB (0.47) LMNAIKBKBALDH1A1SMN1; SMN2HPGD
SCHEMBL23452113 0.78 ALDH1A1 (0.44) LMNAIKBKBKDM4EALDH1A1SMN1; SMN2
SCHEMBL21723639 0.78 HSD17B10 (0.47) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL23452066 0.77 ALDH1A1 (0.53) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23452100 0.75 GABRG2 (0.47) IKBKBNPC1RAB9AKDM4EALDH1A1

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
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY 2022-04-19 US disclosed
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY 2022-04-19 US disclosed
US-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2021-06-10 US disclosed
US-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2021-06-10 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 (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-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF BRD4, BRPF3, AFF4 LMNA 4745/4885IKBKB 3276/4885NPC1 4239/4885
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof BRD4, BRPF3, AFF4 LMNA 4738/4885IKBKB 3066/4885NPC1 4212/4885

“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.