SCHEMBL4057091

SCHEMBL4057091

CC(=O)Nc1cccc(-c2nc3ccc(Br)cc3o2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 7/20 0.61
TP53 P04637 3/20 0.60
MAPK10 P53779 1/20 0.60
KDM4E B2RXH2 5/20 0.58
POLB P06746 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
P2RY14 Q15391 1/20 0.58
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
RCE1 Q9Y256 1/20 0.57

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
SCHEMBL4063517 0.85 NPC1 (0.60) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL4055488 0.85 MAPT (0.77) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL4063786 0.81 CASP3 (0.61) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4055533 0.81 TP53 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4058748 0.80 CASP3 (0.64) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2243284 0.77 NPC1 (0.77) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4058336 0.77 ESR1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2592319 0.77 RAB9A (0.62) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2244601 0.77 NPC1 (0.73) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4051636 0.77 MAPT (0.53) CASP3SENP8SENP7SENP6NPC1

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 CASP3 1178/4885SENP8 3906/4885SENP7 3179/4885

“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.