SCHEMBL17385016

SCHEMBL17385016

O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2sc(N3CCCCC3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 3/20 0.50
DHODH Q02127 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PIN1 Q13526 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
EPHX2 P34913 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 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
SCHEMBL17385329 0.88 PIN1 (0.46) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385023 0.86 MAPT (0.48) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385292 0.85 NPC1 (0.51) NPC1MEN1KMT2ARAB9ADHODH
SCHEMBL17385434 0.85 DNM1L (0.48) NPC1RAB9ADHODHSMN1; SMN2PIN1
SCHEMBL17385433 0.84 TP53 (0.54) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385042 0.83 MAPT (0.45) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385379 0.83 TP53 (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385049 0.82 DGAT1 (0.51) NPC1MEN1KMT2ARAB9APIN1
SCHEMBL22677838 0.82 PIN1 (0.47) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17385436 0.82 TP53 (0.52) NPC1KMT2ARAB9ASMN1; SMN2MAPT

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-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
US-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 US 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 (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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS RABGGTB, ELANE, SERPINB1 NPC1 402/4885MEN1 3685/4885KMT2A 4781/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS NPC1 452/4885MEN1 3545/4885KMT2A 4578/4885

“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.