SCHEMBL5042708

SCHEMBL5042708

COc1cc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.49
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
Hydrochloric Acid SCHEMBL5040548 0.99 NCF1 (0.48) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5036246 0.92 NCF1 (0.50) NCF1MAPTKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL5040490 0.91 NCF1 (0.49) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5037494 0.90 NCF1 (0.49) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5033327 0.89 NCF1 (0.51) NCF1MAPTKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL5037498 0.89 NCF1 (0.48) NCF1MAPTKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL5042719 0.89 NCF1 (0.50) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5521248 0.88 NCF1 (0.50) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5514600 0.87 NCF1 (0.50) NCF1MAPTKMT2AALDH1A1MEN1
SCHEMBL5033351 0.86 NCF1 (0.61) NCF1MAPTHRH3

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 1052/4885MAPT 3753/4885KMT2A 2649/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885MAPT 3753/4885KMT2A 2649/4885

“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.