SCHEMBL5024510

SCHEMBL5024510

COc1ccccc1CNc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NCF1 P14598 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 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
SCHEMBL5028620 0.87 NCF1 (0.55) MAPK1HTTNCF1MEN1KMT2A
SCHEMBL5022538 0.85 NCF1 (0.53) GAAMAPTALDH1A1MAPK1HTT
SCHEMBL5025398 0.85 NCF1 (0.56) MAPK1HTTNCF1MEN1KMT2A
SCHEMBL5024407 0.83 NCF1 (0.50) KDM4EMAPTMAPK1HTTNCF1
SCHEMBL5026888 0.83 NCF1 (0.50) GAANCF1MEN1KMT2A
SCHEMBL5024595 0.81 RAB9A (0.54) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL5022744 0.81 MAPT (0.51) KDM4EGAAMAPTALDH1A1ALOX15
SCHEMBL5028650 0.80 NCF1 (0.46) KDM4ENCF1
SCHEMBL5037560 0.80 NCF1 (0.52) KDM4EMAPTTDP1L3MBTL1NCF1
Hydrochloric Acid SCHEMBL5037460 0.80 NCF1 (0.51) KDM4EMAPTTDP1L3MBTL1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP claimed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US claimed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US claimed
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R KDM4E 2067/4885GAA 139/4885MAPT 3523/4885

“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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