Sugi Predict

Sugi Predict / Compounds / SCHEMBL1976915

SCHEMBL1976915

SCHEMBL1976915

CCCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40

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
SCHEMBL1974808 0.90 GAA (0.49) GAAGFERMEN1KMT2ATAAR1
SCHEMBL1978820 0.87 MEN1 (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL1976260 0.79 GAA (0.52) GAAGFERMEN1KMT2ATAAR1
SCHEMBL11454224 0.78 NOTUM (0.50) MEN1KMT2AALDH1A1NOTUMSMN1; SMN2
SCHEMBL1974506 0.77 MEN1 (0.57) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11468048 0.75 PTPN1 (0.40) MEN1KMT2AALDH1A1PTPN1PTPN11
SCHEMBL1976606 0.74 NOTUM (0.54) GAAGFERMEN1KMT2AALDH1A1
SCHEMBL9947638 0.74 MEN1 (0.50) GAAGFERMEN1KMT2ATAAR1
SCHEMBL9947765 0.73 TAAR1 (0.48) GAAGFERMEN1KMT2ATAAR1
SCHEMBL1974627 0.72 MEN1 (0.58) GAAMEN1KMT2AALDH1A1KDM4E

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-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
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 GAA 1591/4885GFER 3235/4885MEN1 2098/4885

“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.