Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974267

SCHEMBL1974267

SCHEMBL1974267

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 12/20 0.41
▸ MAPK1 P28482 4/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ TACR2 P21452 2/20 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
▸ PMP22 Q01453 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 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
SCHEMBL10150677 0.93 ROCK2 (0.37) TACR3MAPK1CYP26A1PPARGCNR2
SCHEMBL1974261 0.89 PPARG (0.41) TACR3MAPK1CYP26A1PPARGTACR2
SCHEMBL1976721 0.88 PKM (0.41) TACR3MAPK1CYP26A1PPARGTACR2
SCHEMBL1973559 0.88 TACR3 (0.47) TACR3MAPK1PPARGTACR2MEN1
SCHEMBL1972416 0.85 CYP2C9 (0.49) TACR3PPARGCYP2C9
SCHEMBL1973603 0.85 CYP2C9 (0.49) TACR3PPARGCYP2C9
SCHEMBL1974289 0.85 TACR3 (0.40) TACR3MAPK1CYP26A1PPARGTACR2
SCHEMBL1974913 0.84 CYP2C9 (0.46) TACR3MAPK1PPARGMEN1ALDH1A1
SCHEMBL1974417 0.82 CYP26A1 (0.40) TACR3MAPK1CYP26A1PPARGTACR2
SCHEMBL1974595 0.82 PPARG (0.43) TACR3MAPK1CYP26A1PPARGTACR2

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 8 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
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 TACR3 26/4885MAPK1 2115/4885CYP26A1 1124/4885

“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.