SCHEMBL5824607

SCHEMBL5824607

Cc1cccc(C)c1OCCSc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.52
AR P10275 1/20 0.48
PDPK1 O15530 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN4A P35499 3/20 0.39
SCN2A Q99250 3/20 0.39
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL5824932 0.82 KMT2A (0.52) ARPDPK1ALDH1A1KDM4EMEN1
SCHEMBL5825769 0.76 POLB (0.57) ARATMMAPTL3MBTL1LMNA
SCHEMBL5825178 0.75 NPC1 (0.51) ARALDH1A1MEN1KMT2AMAPT
SCHEMBL5824996 0.74 NPC1 (0.51) ARALDH1A1MEN1KMT2AMAPT
SCHEMBL10407801 0.74 DRD4 (0.53) ARALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5824925 0.73 L3MBTL1 (0.61) PDPK1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL5825180 0.73 SMN1; SMN2 (0.57) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL24942778 0.73 AR (0.47) SCN8AARALDH1A1KDM4EMEN1
SCHEMBL6362994 0.72 LMNA (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL51052 0.72 NR1H2 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT

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 SCN8A 2943/4885AR 808/4885PDPK1 481/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA SCN8A 2541/4885AR 576/4885PDPK1 356/4885

“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.