SCHEMBL4049941

SCHEMBL4049941

Fc1ccccc1C=Cc1nc2cc(-c3ccco3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.46
PIK3CA P42336 5/20 0.46
METAP2 P50579 1/20 0.40
PGR P06401 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ADORA2A P29274 2/20 0.39
CASP3 P42574 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NFE2L2 Q16236 3/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL4049940 1.00 PIK3R1 (0.46) PIK3R1PIK3CAMETAP2PGRALDH1A1
SCHEMBL4062200 0.92 PIK3R1 (0.44) PIK3R1PIK3CAMETAP2PGRALDH1A1
SCHEMBL4062204 0.92 PIK3R1 (0.44) PIK3R1PIK3CAMETAP2PGRALDH1A1
SCHEMBL4060467 0.90 PIK3R1 (0.40) PIK3R1PIK3CAPGRALDH1A1HPGD
SCHEMBL4060472 0.90 PIK3R1 (0.40) PIK3R1PIK3CAPGRALDH1A1HPGD
SCHEMBL4054255 0.84 SMN1; SMN2 (0.53) METAP2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4054261 0.84 SMN1; SMN2 (0.53) METAP2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4053716 0.83 HPGD (0.49) PIK3R1PIK3CAPGRALDH1A1HPGD
SCHEMBL4053714 0.83 HPGD (0.49) PIK3R1PIK3CAPGRALDH1A1HPGD
SCHEMBL4051608 0.81 NFE2L2 (0.40) PIK3R1PIK3CAPGRADORA2ANFE2L2

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 3 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-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 PIK3R1 565/4885PIK3CA 848/4885METAP2 4556/4885

“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.