SCHEMBL4051983

SCHEMBL4051983

CC(C)Oc1cccc(-c2nc3ccc(Br)cc3o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.56
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 5/20 0.49
CASP3 P42574 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 8/20 0.48
TP53 P04637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4053543 0.86 NPC1 (0.65) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4051080 0.82 SMN1; SMN2 (0.65) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4234767 0.82 GPR119 (0.49) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4061624 0.82 SMN1; SMN2 (0.48) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4050856 0.81 GPR119 (0.55) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4054930 0.80 P2RY14 (0.49) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4056115 0.80 MAPT (0.53) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4050343 0.80 RAB9A (0.49) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4053854 0.79 VSIR (0.55) GPR119RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL4055618 0.79 FFAR1 (0.50) GPR119RAB9ASMN1; SMN2NPC1CASP3

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 GPR119 1677/4885RAB9A 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.