SCHEMBL4054960

SCHEMBL4054960

CSc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NDUFS2 O75306 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL4051786 0.90 P2RY14 (0.43) MAPTRAB9ASMN1; SMN2KDM4EGLA
SCHEMBL4061552 0.88 NOS3 (0.41) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4063393 0.87 MKNK1 (0.39) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL4056967 0.85 SMN1; SMN2 (0.39) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13608004 0.84 CCNT1 (0.38) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4055039 0.84 KIT (0.43) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4060275 0.83 ADRA2A (0.36) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4051072 0.82 NOS3 (0.37) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4058483 0.82 CYP11B1 (0.41) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4051006 0.82 RIPK1 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1GAA

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 MAPT 4026/4885RAB9A 1184/4885SMN1; SMN2 4289/4885

“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.