SCHEMBL4060144

SCHEMBL4060144

CCCCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
AURKA O14965 3/20 0.51
HDAC6 Q9UBN7 8/20 0.45
HDAC3 O15379 7/20 0.45
HDAC4 P56524 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC7 Q8WUI4 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC10 Q969S8 7/20 0.45
HDAC11 Q96DB2 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC9 Q9UKV0 7/20 0.45
HDAC5 Q9UQL6 7/20 0.45
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4057196 0.96 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4055350 0.94 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4058201 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4051984 0.89 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4053339 0.87 AURKA (0.50) SMN1; SMN2LMNAAURKAHDAC6HDAC3
SCHEMBL4236251 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4054555 0.84 AURKA (0.67) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4240248 0.84 ESR1 (0.49) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4058057 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4052666 0.83 PPARG (0.49) AURKAHDAC6HDAC3HDAC4HDAC1

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 2175/4885HTT 4772/4885

“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.