Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974261

SCHEMBL1974261

SCHEMBL1974261

CCCn1c(C)c(C(=O)N[C@@H](CC)c2cccc(Cl)c2)c(C)c(Br)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.41
▸ MAPK1 P28482 6/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ DCAF1 Q9Y4B6 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TACR3 P29371 5/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ TACR2 P21452 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL1974267 0.89 TACR3 (0.41) PPARGMAPK1TACR3CYP26A1TACR2
SCHEMBL1974595 0.88 PPARG (0.43) PPARGMAPK1TAS1R3TAS1R1TACR3
SCHEMBL1973559 0.88 TACR3 (0.47) PPARGMAPK1TACR3TACR2MEN1
SCHEMBL1974356 0.85 PPARG (0.39) PPARGTACR3RAB9AMEN1CYP3A4
SCHEMBL1975529 0.85 MAPK1 (0.39) PPARGMAPK1MAPK3DCAF1TAS1R3
SCHEMBL1976721 0.82 PKM (0.41) PPARGMAPK1TACR3CYP26A1TACR2
SCHEMBL10150677 0.82 ROCK2 (0.37) PPARGMAPK1TACR3CYP26A1
SCHEMBL1974417 0.78 CYP26A1 (0.40) PPARGMAPK1TACR3CYP26A1TACR2
SCHEMBL1974280 0.77 ALDH1A1 (0.46) PPARGTACR3TACR2MEN1ALDH1A1
SCHEMBL1975592 0.75 WDR91 (0.38) MAPK1MEN1ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO claimed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 PPARG 1317/4885MAPK1 2115/4885MAPK3 326/4885

“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.