SCHEMBL5825322

SCHEMBL5825322

Oc1ccc(SCCOc2cccc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAOB P27338 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NR4A2 P43354 1/20 0.40
DAO P14920 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5824608 0.82 AR (0.51) HTTLMNAMAPTNPC1SMN1; SMN2
SCHEMBL5825180 0.82 SMN1; SMN2 (0.57) RAB9AHTTL3MBTL1MAOBLMNA
SCHEMBL5825769 0.82 POLB (0.57) HTTL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL5824404 0.81 ESR1 (0.46) ESR2RAB9ANPC1MEN1ALDH1A1
SCHEMBL10407801 0.80 DRD4 (0.53) ESR2RAB9AL3MBTL1LMNANPC1
SCHEMBL10407406 0.77 TDP1 (0.53) ESR2RAB9AHTTMAPTNPC1
SCHEMBL5825228 0.75 LMNA (0.52) HTTL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL5824996 0.74 NPC1 (0.51) RAB9AHTTLMNAMAPTNPC1
SCHEMBL5824691 0.74 MAPK1 (0.49) HTTL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL1861445 0.73 ALDH1A1 (0.57) MAOBMRGPRX4HPGDNR4A2DAO

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-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ESR2 928/4885RAB9A 1208/4885HTT 756/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ESR2 1144/4885RAB9A 1132/4885HTT 1115/4885

“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.