SCHEMBL3363868

SCHEMBL3363868

O=C1c2ccccc2C(=O)c2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc(NC3CCCCC3)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 5/20 0.42
▸ TP53 P04637 3/20 0.42
▸ PGAM1 P18669 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADORA1 P30542 1/20 0.39
▸ GNG2 P59768 3/20 0.37
▸ GNB1 P62873 3/20 0.37
▸ CHAT P28329 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ SUMO2 P61956 1/20 0.36

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
SCHEMBL3363866 1.00 CYP1A2 (0.59) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL13496251 1.00 CYP1A2 (0.59) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3363100 0.93 HIF1A (0.52) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3363102 0.93 HIF1A (0.52) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3364259 0.90 MAPK1 (0.52) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL13496261 0.90 MAPK1 (0.52) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3364255 0.90 MAPK1 (0.52) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3363626 0.90 HIF1A (0.47) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3363622 0.90 HIF1A (0.47) CYP1A2MAPK1CYP2C19HIF1AHSD17B10
SCHEMBL3366765 0.82 GNG2 (0.48) CYP1A2MAPK1CYP2C19HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100031452-A1 AZO DYES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2010-02-11 — — US disclosed
WO-2010003969-A2 NEW AZO DYES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2010-01-14 — — WO disclosed
WO-2010003969-A2 NEW AZO DYES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2010-01-14 — — 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-20100031452-A1 AZO DYES IK, H1-10, RB1 CYP1A2 217/4885MAPK1 1638/4885CYP2C19 367/4885

“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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