SCHEMBL30004108

SCHEMBL30004108

CC(=O)c1ccc(S)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
NNMT P40261 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL8184672 1.00 KCNJ1 (0.46) KCNJ1SMN1; SMN2GABRPGABRDGABRA1
6-Mercaptonicotinic Acid SCHEMBL796849 0.80 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
6-Mercaptonicotinic Acid SCHEMBL31589674 0.80 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
6-Mercaptonicotinic Acid SCHEMBL27863095 0.78 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1647540 0.78 NNMT (0.67) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL1105486 0.78 GABRP (0.67) KCNJ1SMN1; SMN2GABRPGABRDGABRA1
SCHEMBL30474684 0.78 MAPK1 (0.65) L3MBTL1MAPTRAB9AKMT2AMAPK1
SCHEMBL1340671 0.78 MAPK1 (0.65) L3MBTL1MAPTRAB9AKMT2AMAPK1
SCHEMBL13623668 0.78 MAPT (0.44) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13610822 0.78 NNMT (0.37) SMN1; SMN2GABRPGABRDGABRA1GABRB1

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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 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 (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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 KCNJ1 4552/4885SMN1; SMN2 3697/4885GABRP 1099/4885

“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.