SCHEMBL5040549

SCHEMBL5040549

CCOC(=O)/C=C(/C)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 1/20 0.54
▸ PDK1 Q15118 1/20 0.54
▸ PDK2 Q15119 1/20 0.54
▸ PDK3 Q15120 1/20 0.54
▸ PDK4 Q16654 1/20 0.54
▸ MAOB P27338 1/20 0.53
▸ LTA4H P09960 1/20 0.53
▸ NR1H4 Q96RI1 4/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL5040554 1.00 MEN1 (0.55) MEN1KMT2ALMNAPDK1PDK2
SCHEMBL11723465 0.88 SMN1; SMN2 (0.54) MEN1KMT2ALMNANR1H4NPC1
SCHEMBL11723450 0.88 SMN1; SMN2 (0.54) MEN1KMT2ALMNANR1H4NPC1
SCHEMBL3645649 0.87 ALDH1A1 (0.66) LTA4HNR1H4NPC1RAB9AALDH1A1
SCHEMBL3645648 0.87 ALDH1A1 (0.66) LTA4HNR1H4NPC1RAB9AALDH1A1
SCHEMBL25943204 0.86 MAPT (0.54) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL11718411 0.83 GAA (0.54) KMT2ANPC1RAB9AALDH1A1
SCHEMBL11717437 0.83 GAA (0.54) KMT2ANPC1RAB9AALDH1A1
SCHEMBL5033317 0.82 IDO1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5033321 0.82 IDO1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 — — EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 — — US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 — — US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MEN1 1847/4885KMT2A 2649/4885LMNA 3209/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MEN1 1847/4885KMT2A 2649/4885LMNA 3209/4885

“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.

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