SCHEMBL4052971

SCHEMBL4052971

O=C(Nc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 5/20 0.66
MAPK1 P28482 1/20 0.66
MAPT P10636 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 4/20 0.59
POLB P06746 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
DUSP1 P28562 1/20 0.57
GAA P10253 1/20 0.57
TLR9 Q9NR96 1/20 0.55
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL4063786 0.87 CASP3 (0.61) MAPK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4056863 0.82 NPC1 (0.55) MAPK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4055488 0.82 MAPT (0.77) MAPK1MAPTSMN1; SMN2NPSR1HSD17B10
SCHEMBL4055885 0.82 KDM4E (0.59) MAPK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4061714 0.80 ALOX5 (0.56) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL21866158 0.80 LCLAT1 (1.00) LCLAT1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL4058065 0.78 TP53 (0.54) MAPK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16291851 0.78 MAPT (0.85) MAPK1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL21867286 0.78 LCLAT1 (0.91) LCLAT1MAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL4050933 0.76 ALOX5 (0.47) MAPTSMN1; SMN2NPC1RAB9ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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 (1 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B LCLAT1 2592/4885MAPK1 56/4885MAPT 4026/4885

“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.