SCHEMBL4015481

SCHEMBL4015481

CON=C1CCc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.32
TBXAS1 P24557 2/20 0.32
DUSP10 Q9Y6W6 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
S100A4 P26447 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
PADI1 Q9ULC6 1/20 0.31
PADI3 Q9ULW8 1/20 0.31
PADI4 Q9UM07 1/20 0.31
PADI2 Q9Y2J8 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL13647921 1.00 CYP19A1 (0.32) CYP19A1TBXAS1DUSP10MAPTNPC1
SCHEMBL12895160 0.90 L3MBTL1 (0.35) CYP19A1TBXAS1MAPTNPC1ATG4B
SCHEMBL6100191 0.77 LMNA (0.44) CYP19A1TBXAS1SMN1; SMN2KDM4E
SCHEMBL6100187 0.77 LMNA (0.44) CYP19A1TBXAS1SMN1; SMN2KDM4E
SCHEMBL13652914 0.76 CYP19A1 (0.38) CYP19A1TBXAS1DUSP10MAPTNPC1
SCHEMBL22579802 0.74 TDP1 (0.42) CYP19A1TBXAS1DUSP10MAPTTP53
SCHEMBL4017991 0.72 HRH1 (0.40) KDM4E
SCHEMBL13647908 0.72 HRH1 (0.40) KDM4E
SCHEMBL1855861 0.72 ADRA1A (0.41) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL1855529 0.72 ADRA1A (0.41) MAPTNPC1TP53RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C CYP19A1 3160/4885TBXAS1 594/4885DUSP10 3764/4885

“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.