SCHEMBL5033317

SCHEMBL5033317

CCOC(=O)/C=C(/C)Nc1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ CYP19A1 P11511 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ BRD4 O60885 3/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ CTSV O60911 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ C5AR1 P21730 1/20 0.43
▸ PPIA P62937 2/20 0.43

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
SCHEMBL5033321 1.00 IDO1 (0.48) IDO1TDO2CYP19A1ALDH1A1BRD4
SCHEMBL5516774 0.88 ALDH1A1 (0.45) CYP19A1ALDH1A1BRD4CYP11B1CYP11B2
SCHEMBL5516768 0.88 ALDH1A1 (0.45) CYP19A1ALDH1A1BRD4CYP11B1CYP11B2
SCHEMBL3645648 0.83 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL3645649 0.83 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL5040549 0.82 MEN1 (0.55) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL5040554 0.82 MEN1 (0.55) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL8364294 0.81 BRD4 (0.64) ALDH1A1BRD4RAB9ANPC1KMT2A
SCHEMBL8364295 0.81 BRD4 (0.64) ALDH1A1BRD4RAB9ANPC1KMT2A
SCHEMBL1717228 0.77 MAPT (0.51) CYP19A1ALDH1A1RAB9ANPC1MEN1

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 IDO1 469/4885TDO2 1687/4885CYP19A1 3053/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R IDO1 469/4885TDO2 1687/4885CYP19A1 3053/4885

“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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