SCHEMBL4058336

SCHEMBL4058336

Oc1cccc(-c2nc3ccc(Br)cc3o2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.56
ESR2 Q92731 12/20 0.56
HDAC6 Q9UBN7 2/20 0.54
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GPR119 Q8TDV5 2/20 0.53
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9197043 0.88 ESR1 (0.65) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL2158298 0.88 ESR1 (0.73) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL2582987 0.83 ESR2 (0.76) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL27090259 0.83 ESR1 (0.75) ESR1ESR2RAB9AMAPTNPC1
SCHEMBL2139699 0.83 SMN1; SMN2 (0.57) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL2583111 0.82 UTRN (0.54) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL2592319 0.82 RAB9A (0.62) RAB9AMAPTMEN1KMT2AGPR119
SCHEMBL4055951 0.82 NPC1 (0.70) HDAC6RAB9AMAPTMEN1KMT2A
SCHEMBL3013427 0.81 MEN1 (0.62) ESR1ESR2HDAC6RAB9AMAPT
SCHEMBL25498956 0.80 NPC1 (0.55) ESR1ESR2RAB9AMAPTMEN1

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 ESR1 1649/4885ESR2 2289/4885HDAC6 698/4885

“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.