SCHEMBL17385342

SCHEMBL17385342

COc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
GALR2 O43603 3/20 0.46
TP53 P04637 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
GALR1 P47211 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL17385389 0.83 MAPT (0.50) MAPTGALR2TP53RAB9ASMN1; SMN2
SCHEMBL22678273 0.83 HRH3 (0.41) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL17385433 0.77 TP53 (0.54) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL17385379 0.75 TP53 (0.52) MAPTGALR2TP53RAB9ASMN1; SMN2
SCHEMBL17385480 0.74 LMNA (0.55) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL18802955 0.74 NPC1 (0.50) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL17385404 0.73 TP53 (0.50) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL18802981 0.72 ALDH1A1 (0.50) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL22678094 0.72 ALDH1A1 (0.43) MAPTGALR2TP53RAB9ASMN1; SMN2
SCHEMBL17385364 0.72 ALDH1A1 (0.52) MAPTTP53RAB9ASMN1; SMN2NPC1

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 MAPT 2660/4885GALR2 4136/4885TP53 2233/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS MAPT 2813/4885GALR2 3571/4885TP53 3495/4885

“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.