SCHEMBL4053773

SCHEMBL4053773

Clc1ccc(OCc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 6/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 3/20 0.39
TP53 P04637 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL13608001 0.84 RAB9A (0.49) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL4061644 0.82 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL4051792 0.80 EGFR (0.37) SMN1; SMN2POLBGAAKDM4EADRA2A
SCHEMBL4050911 0.79 ADRA2A (0.38) NPC1TDP1LMNAKMT2ATP53
SCHEMBL4056967 0.78 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2NPC1LMNAGAA
SCHEMBL4060275 0.78 ADRA2A (0.36) RAB9ASMN1; SMN2NPC1LMNAGAA
SCHEMBL4058483 0.77 CYP11B1 (0.41) RAB9ASMN1; SMN2NPC1LMNANOS3
SCHEMBL4051786 0.76 P2RY14 (0.43) RAB9ASMN1; SMN2NPC1POLBLMNA
SCHEMBL4061552 0.76 NOS3 (0.41) RAB9ASMN1; SMN2NPC1LMNANPSR1
SCHEMBL4058372 0.75 TSHR (0.47) RAB9ASMN1; SMN2NPC1LMNAGAA

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 3 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-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 RAB9A 1184/4885SMN1; SMN2 4289/4885NPC1 4740/4885

“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.