SCHEMBL4057277

SCHEMBL4057277

c1ccc(CCc2nc3ccc(-c4ccccc4)cc3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 7/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
AAK1 Q2M2I8 1/20 0.52
LMNA P02545 2/20 0.51

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
SCHEMBL4059497 0.82 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2KDM4E
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.80 MAPT (0.81) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12419276 0.78 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4055954 0.77 LMNA (0.56) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL590701 0.74 GPR119 (0.61) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29820037 0.74 GPR119 (0.61) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29819610 0.74 GPR119 (0.61) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21815162 0.74 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4905806 0.73 LOXL2 (0.64) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6329882 0.73 NPC1 (0.68) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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 MAPT 4026/4885NPC1 4740/4885RAB9A 1184/4885

“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.