SCHEMBL5824925

SCHEMBL5824925

Cc1ccc(OCCSc2ccc(O)cc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
KMT2A Q03164 1/20 0.61
RELA Q04206 1/20 0.61
MAPT P10636 6/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDPK1 O15530 1/20 0.46
PRKAG1 P54619 1/20 0.45
PRKAA1 Q13131 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
KDM4E B2RXH2 2/20 0.42
HTR1A P08908 1/20 0.42

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 0.81 KMT2A (0.52) L3MBTL1KMT2AMAPTHPGDALDH1A1
SCHEMBL9770381 0.79 KMT2A (0.50) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL9114921 0.78 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL5825178 0.78 NPC1 (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL891407 0.76 SMN1; SMN2 (0.61) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL5825769 0.76 POLB (0.57) L3MBTL1SMN1; SMN2MAPTNPSR1TDP1
SCHEMBL20005776 0.74 MAPT (0.55) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL9011867 0.74 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL5824996 0.74 NPC1 (0.51) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL7056362 0.73 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9ANFKB1

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 L3MBTL1 1545/4885SMN1; SMN2 4616/4885NPC1 4167/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA L3MBTL1 1895/4885SMN1; SMN2 4780/4885NPC1 4076/4885

“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.