SCHEMBL5033396

SCHEMBL5033396

COc1ccc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.46
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NTSR1 P30989 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.43
SMPD3 Q9NY59 1/20 0.41
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL5036246 0.89 NCF1 (0.50) NCF1KDM4EMAPTKMT2ATSHR
Hydrochloric Acid SCHEMBL5040490 0.88 NCF1 (0.49) NCF1KDM4EMAPTKMT2ATSHR
SCHEMBL5521248 0.87 NCF1 (0.50) NCF1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL5042708 0.86 NCF1 (0.49) NCF1KDM4EMAPTKMT2ATSHR
SCHEMBL5037494 0.85 NCF1 (0.49) NCF1MAPTSMN1; SMN2TDP1KMT2A
Hydrochloric Acid SCHEMBL5040548 0.85 NCF1 (0.48) NCF1KDM4EMAPTKMT2ATSHR
SCHEMBL5513353 0.85 NCF1 (0.54) NCF1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL5033327 0.84 NCF1 (0.51) NCF1KDM4EMAPTSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL5037498 0.84 NCF1 (0.48) NCF1MAPTSMN1; SMN2TDP1KMT2A
SCHEMBL5514600 0.84 NCF1 (0.50) NCF1MAPTSMN1; SMN2TDP1KMT2A

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 NCF1 1052/4885KDM4E 1210/4885MAPT 3753/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885KDM4E 1210/4885MAPT 3753/4885

“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.