Sugi Predict

Sugi Predict / Compounds / SCHEMBL1365646

SCHEMBL1365646

SCHEMBL1365646

CC[C@H](NC(=O)c1c(C)n(Cc2ccoc2)c(=O)c2ccccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ TACR3 P29371 19/20 0.44
▸ TACR2 P21452 6/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ FFAR4 Q5NUL3 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
SCHEMBL1366629 0.89 PPARG (0.52) PPARGTACR3TACR2CYP1A2CYP3A4
SCHEMBL2154650 0.81 TACR3 (0.50) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL3344869 0.81 LMNA (0.43) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL2154030 0.80 TACR3 (0.53) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2149951 0.80 CNR2 (0.54) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL7950414 0.79 TACR3 (0.47) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154956 0.79 TACR3 (0.48) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154064 0.79 ALDH1A1 (0.49) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2154091 0.79 TACR3 (0.47) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL2149599 0.79 CNR2 (0.58) TACR3TACR2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 — — US claimed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 — — US disclosed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 — — US disclosed
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 — — US disclosed
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 — — US disclosed
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 — — US disclosed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 — — 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 (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-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNK3, KCNQ3, KCNN3 PPARG 4577/4885TACR3 36/4885TACR2 75/4885

“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.