SCHEMBL6931908

SCHEMBL6931908

O=[N+]([O-])c1cccc2oc(Cc3ccccc3-n3cnnn3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.56
F10 P00742 5/20 0.49
PLAT P00750 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 2/20 0.35
PDE10A Q9Y233 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPB1 P15086 1/20 0.34

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
SCHEMBL4544213 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPC1HSP90AA1
SCHEMBL30783842 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPC1HSP90AA1
SCHEMBL6930600 0.72 F2 (1.00) F2F10PLATPRSS1PRSS2
Hydrochloric Acid SCHEMBL6929471 0.71 F2 (0.98) F2F10PLATPRSS1PRSS2
SCHEMBL13425980 0.69 PDE10A (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1918235 0.69 PDE10A (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3040780 0.69 PDE10A (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7111564 0.66 ALDH1A1 (0.49) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7475300 0.66 PKN1 (0.49) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL15372172 0.65 MAPT (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2HTT

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-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 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-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT F2 5/4885F10 27/4885PLAT 3/4885

“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.