SCHEMBL25299244

SCHEMBL25299244

Cc1ncsc1COc1ccc2oc(C(F)F)c(C(=O)NC3CCNC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 3/20 0.33
SLC26A4 O43511 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BTK Q06187 2/20 0.33

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
SCHEMBL30758019 1.00 CHEK1 (0.36) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL25261247 1.00 CHEK1 (0.36) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL25296170 0.90 GAA (0.42) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL25296169 0.90 GAA (0.42) CHEK1KDM4EALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL29630291 0.90 GAA (0.41) CHEK1KDM4EALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL29095870 0.90 GAA (0.41) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL25294619 0.88 CHEK1 (0.37) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL25294620 0.88 CHEK1 (0.37) CHEK1KDM4EALDH1A1LMNAHTT
SCHEMBL24484438 0.87 KDM4E (0.35) KDM4EALDH1A1LMNAHTTMAPT
SCHEMBL29630070 0.87 KDM4E (0.35) KDM4EALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013052-A1 NOVEL USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2024-01-18 WO disclosed
US-20230220037-A1 NOVEL USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-07-13 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-20230220037-A1 NOVEL USE RAMP3, TRPM7, TRPM4 CHEK1 1835/4885KDM4E 3081/4885ALDH1A1 3787/4885

“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.