SCHEMBL13238642

SCHEMBL13238642

C/N=C(\N)c1ccc(CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.54
▸ F10 P00742 2/20 0.54
▸ NOS1 P29475 5/20 0.50
▸ NOS2 P35228 5/20 0.50
▸ NOS3 P29474 3/20 0.50
▸ ABAT P80404 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ST14 Q9Y5Y6 2/20 0.41
▸ F2 P00734 2/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ F11 P03951 1/20 0.39

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
SCHEMBL20713868 0.83 SMN1; SMN2 (0.57) F10F2ALDH1A1SMN1; SMN2
SCHEMBL4253164 0.80 LOXL2 (0.56) LOXL2F10NOS1NOS2NOS3
SCHEMBL4253161 0.80 LOXL2 (0.56) LOXL2F10NOS1NOS2NOS3
SCHEMBL5154701 0.80 LOXL2 (0.56) LOXL2F10NOS1NOS2NOS3
SCHEMBL25447789 0.78 LOXL2 (0.54) LOXL2F10NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL6743119 0.78 LOXL2 (0.54) LOXL2F10NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL18300737 0.78 LOXL2 (0.54) LOXL2F10NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL18300738 0.78 LOXL2 (0.54) LOXL2F10NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL6743124 0.78 LOXL2 (0.54) LOXL2F10NOS1NOS2NOS3
SCHEMBL23734498 0.78 NOS1 (0.55) LOXL2F10NOS1NOS2NOS3

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-7763597-B2 Salts ASTRAZENECA AB (SE) 2010-07-27 — — US disclosed
US-20080269176-A1 New Salts ASTRAZENECA AB (SE) 2008-10-30 — — US disclosed
US-7273858-B2 Sulfonic acid salts of 2-(p-(alkoxyamidino)benzylaminocarbonyl)azetidin-1-yl 3-chloro-5-(fluorinated alkoxy)-alpha-hydroxybenzyl ketone; competitive inhibitors of trypsin-like proteases, such as thrombin; anticoagulants ASTRAZENECA AB (SE) 2007-09-25 — — 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-20080269176-A1 New Salts PRSS1, PRSS2, CTRL LOXL2 3656/4885F10 92/4885NOS1 784/4885

“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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