Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974595

SCHEMBL1974595

SCHEMBL1974595

CCCn1c(C)c(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)c(C)c(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.43
▸ PKM P14618 1/20 0.41
▸ UTS2R Q9UKP6 3/20 0.38
▸ TACR3 P29371 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP26A1 O43174 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TACR2 P21452 2/20 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

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
SCHEMBL1976721 0.90 PKM (0.41) PPARGPKMTACR3ALDH1A1SMN1; SMN2
SCHEMBL1973559 0.89 TACR3 (0.47) PPARGTACR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL1974261 0.88 PPARG (0.41) PPARGTACR3ALDH1A1SMN1; SMN2CYP26A1
SCHEMBL1975592 0.84 WDR91 (0.38) ALDH1A1SMN1; SMN2LMNAMAPK1MEN1
SCHEMBL1975060 0.84 PPARG (0.40) PPARGPKMUTS2RTACR3ALDH1A1
SCHEMBL1974267 0.82 TACR3 (0.41) PPARGTACR3ALDH1A1SMN1; SMN2CYP26A1
SCHEMBL1974417 0.80 CYP26A1 (0.40) PPARGTACR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL1974280 0.76 ALDH1A1 (0.46) PPARGTACR3ALDH1A1LMNAMEN1
SCHEMBL10150677 0.75 ROCK2 (0.37) PPARGTACR3CYP26A1MAPK1
SCHEMBL1974356 0.75 PPARG (0.39) PPARGTACR3MEN1KMT2ACYP3A4

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 1317/4885PKM 173/4885UTS2R 1216/4885

“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.