SCHEMBL17385404

SCHEMBL17385404

COc1ccc(NC(=O)c2cc3sc(N4CCC4)nc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
MAPT P10636 9/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
NR4A1 P22736 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
GPX4 P36969 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 5/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL17385379 0.98 TP53 (0.52) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385433 0.97 TP53 (0.54) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385052 0.92 GPX4 (0.55) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385038 0.91 ALDH1A1 (0.48) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385331 0.91 GAA (0.51) TP53MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL17385402 0.90 PIN1 (0.46) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385486 0.89 MAPT (0.43) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385041 0.89 MAPT (0.52) TP53MAPTRAB9AALDH1A1KMT2A
SCHEMBL17385414 0.88 HPGD (0.48) TP53MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17385495 0.88 MAPT (0.51) TP53MAPTRAB9AALDH1A1KMT2A

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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2022-05-19 US disclosed
EP-3157904-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2020-11-18 EP disclosed
WO-2015193506-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-12-23 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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS RABGGTB, ELANE, SERPINB1 TP53 2233/4885MAPT 2660/4885RAB9A 1091/4885

“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.