SCHEMBL4115649

SCHEMBL4115649

CO/C=C1\CCCc2sccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
TBXAS1 P24557 2/20 0.43
USP2 O75604 1/20 0.40
NOS2 P35228 1/20 0.33
NR1I2 O75469 1/20 0.31
CYP1A2 P05177 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
PIM1 P11309 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
GRK5 P34947 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 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
SCHEMBL4115653 1.00 CYP19A1 (0.43) CYP19A1TBXAS1USP2NOS2NR1I2
SCHEMBL4115854 1.00 CYP19A1 (0.43) CYP19A1TBXAS1USP2NOS2NR1I2
SCHEMBL6997321 0.72 CYP19A1 (0.51) CYP19A1TBXAS1USP2NOS2
SCHEMBL6997324 0.72 CYP19A1 (0.51) CYP19A1TBXAS1USP2NOS2
SCHEMBL4097012 0.70 CYP19A1 (0.43) CYP19A1TBXAS1USP2NOS2NR1I2
SCHEMBL6991846 0.69 CYP19A1 (0.40) CYP19A1TBXAS1USP2CYP1A2
SCHEMBL6992142 0.69 CYP19A1 (0.48) CYP19A1TBXAS1USP2NOS2
SCHEMBL6992144 0.69 CYP19A1 (0.48) CYP19A1TBXAS1USP2NOS2
SCHEMBL17225453 0.68 USP2 (0.50) CYP19A1TBXAS1USP2NOS2PLK4
SCHEMBL4108673 0.66 CYP19A1 (0.58) CYP19A1TBXAS1USP2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 CYP19A1 163/4885TBXAS1 1337/4885USP2 4338/4885

“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.