SCHEMBL4060165

SCHEMBL4060165

COc1cccc(-c2nc3ccc(-c4ccccc4F)cc3o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.58
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 1/20 0.57
CASP3 P42574 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GPR119 Q8TDV5 2/20 0.53
KMT2A Q03164 4/20 0.51
F2 P00734 1/20 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
SCHEMBL4054281 0.89 NPC1 (0.55) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4057255 0.88 VSIR (0.58) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4060803 0.88 SMN1; SMN2 (0.57) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4053854 0.88 VSIR (0.55) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4053509 0.87 VSIR (0.55) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4057847 0.86 VSIR (0.56) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4052772 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNACASP3
SCHEMBL4051500 0.85 NPC1 (0.54) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4059683 0.85 NPC1 (0.65) VSIRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4052778 0.85 NPC1 (0.67) VSIRNPC1RAB9ASMN1; SMN2LMNA

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 VSIR 4618/4885NPC1 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.