SCHEMBL5533828

SCHEMBL5533828

CNC(=O)c1c(-c2ccccc2Cl)noc1C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
CYP2C19 P33261 1/20 0.71
GPBAR1 Q8TDU6 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MAPT P10636 1/20 0.70
KMT2A Q03164 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
USP2 O75604 1/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 2/20 0.65
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL10996937 0.87 LMNA (0.65) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL27910275 0.85 HSD17B10 (0.78) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL13753973 0.85 CYP2C19 (0.78) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL32679558 0.84 HSD17B10 (0.76) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL10520547 0.84 HSD17B10 (0.76) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL459354 0.84 HSD17B10 (0.76) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL315858 0.84 HSD17B10 (0.76) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL30395456 0.84 HSD17B10 (0.76) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL13733697 0.83 HSD17B10 (0.71) LMNACYP2C19GPBAR1HSD17B10MAPT
SCHEMBL11408570 0.83 EPAS1 (0.61) LMNACYP2C19GPBAR1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
CN-100384418-C Isoxazolopyridinones and use thereof in the treatment of parkinson's disease NOVARTIS AG (CH) 2008-04-30 CN disclosed
EP-1418912-B1 ISOXAZOLOPYRIDINONES NOVARTIS AG (CH) 2007-02-28 EP disclosed
US-7087756-B2 Isoxazolopyridinones NOVARTIS AG (CH) 2006-08-08 US disclosed
CN-1635889-A Isoxazolopyridinones and their use in the treatment of parkinson's disease NOVARTIS AG (CH) 2005-07-06 CN disclosed
US-20040248893-A1 Isoxazolopyridinones NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1418912-A2 ISOXAZOLOPYRIDINONES Novartis AG (CH) 2004-05-19 EP disclosed
WO-2003015780-A2 ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2003-02-27 WO 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 (2 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-20040248893-A1 Isoxazolopyridinones XDH, NPY1R, TBXA2R LMNA 1656/4885CYP2C19 47/4885GPBAR1 1156/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A LMNA 4357/4885CYP2C19 751/4885GPBAR1 65/4885

“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.