SCHEMBL3344817

SCHEMBL3344817

COc1nc(OC)nc(C(CN)C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ITGB1 P05556 2/20 0.30
ITGA4 P13612 2/20 0.30

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
SCHEMBL21194023 0.64 AKR1C3 (0.54) TDP1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL31344401 0.64 AKR1C3 (0.54) TDP1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL3346811 0.64 CPB2 (0.36) LMNATDP1CPB1CPB2MAPT
SCHEMBL9661337 0.63 KMT2A (0.41) LMNATDP1CYP1A2HTT
SCHEMBL3385979 0.63 POLB (0.51) LMNAPTGS1CYP1A2HTTNPSR1
SCHEMBL33145 0.63 ALDH1A1 (0.43) LMNATDP1CYP1A2MAPTHTT
Hydrochloric Acid SCHEMBL21632067 0.62 POLB (0.50) LMNAPTGS1CYP1A2HTTNPSR1
SCHEMBL9367576 0.62 EDNRB (0.46)
SCHEMBL8975795 0.60 ADORA2A (0.35) CYP1A2
SCHEMBL10921794 0.59 GAA (0.55) LMNACYP1A2MAPTHTTNPSR1

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 LMNA 102/4885TDP1 4364/4885AKR1C3 3560/4885

“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.