SCHEMBL3344550

SCHEMBL3344550

CC(C=O)(C(=O)O)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ NPC1 O15118 6/20 0.46
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ MET P08581 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DOT1L Q8TEK3 1/20 0.42
▸ BCAT1 P54687 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL12049554 0.84 HTT (0.50) PABPC1HTTALOX15PLK1NPC1
Hydrochloric Acid SCHEMBL3590574 0.82 PABPC1 (0.49) PABPC1HTTALOX15PLK1NPC1
SCHEMBL2695455 0.81 PABPC1 (0.48) PABPC1HTTALOX15PLK1NPC1
SCHEMBL8708785 0.81 PABPC1 (0.48) PABPC1HTTALOX15PLK1NPC1
SCHEMBL2698205 0.78 PABPC1 (0.50) PABPC1HTTALOX15PLK1NPC1
SCHEMBL1329308 0.77 ALDH1A1 (0.55) PABPC1HTTALOX15PLK1NPC1
SCHEMBL28065794 0.77 NPC1 (0.50) PABPC1HTTALOX15PLK1NPC1
SCHEMBL264293 0.76 ALDH1A1 (0.58) PABPC1HTTALOX15PLK1NPC1
SCHEMBL9924303 0.75 HTT (0.50) PABPC1HTTALOX15PLK1NPC1
SCHEMBL3603329 0.74 ALOX15 (0.57) PABPC1HTTALOX15PLK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — 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 (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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B PABPC1 4657/4885HTT 3690/4885ALOX15 2006/4885

“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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