SCHEMBL4056967

SCHEMBL4056967

c1ccc2cc(Cc3nc4ncc(-c5cc6ccccc6o5)cc4[nH]3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HTR6 P50406 2/20 0.39
ADRA2A P08913 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
NDUFS2 O75306 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL4051786 0.89 P2RY14 (0.43) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4061552 0.89 NOS3 (0.41) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4060275 0.89 ADRA2A (0.36) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4063393 0.88 MKNK1 (0.39) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4051792 0.86 EGFR (0.37) SMN1; SMN2HTR6ADRA2ANDUFS2CHRM2
SCHEMBL4058483 0.86 CYP11B1 (0.41) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4055494 0.86 HPGD (0.41) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4054960 0.85 MAPT (0.36) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4055039 0.85 KIT (0.43) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL4051006 0.84 RIPK1 (0.46) SMN1; SMN2LMNANPC1MAPTRAB9A

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 SMN1; SMN2 4289/4885LMNA 2175/4885NPC1 4740/4885

“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.