SCHEMBL25447789

SCHEMBL25447789

NCc1ccc(C(N)=NI)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 6/20 0.54
▸ F10 P00742 1/20 0.54
▸ NOS3 P29474 2/20 0.45
▸ NOS1 P29475 2/20 0.45
▸ NOS2 P35228 2/20 0.45
▸ 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 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ F11 P03951 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL4253161 0.80 LOXL2 (0.56) LOXL2F10NOS3NOS1NOS2
SCHEMBL5154701 0.80 LOXL2 (0.56) LOXL2F10NOS3NOS1NOS2
SCHEMBL4253164 0.80 LOXL2 (0.56) LOXL2F10NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6743119 0.78 LOXL2 (0.54) LOXL2F10NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6743124 0.78 LOXL2 (0.54) LOXL2F10NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL18300737 0.78 LOXL2 (0.54) LOXL2F10NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL18300738 0.78 LOXL2 (0.54) LOXL2F10NOS3NOS1NOS2
SCHEMBL13238642 0.78 LOXL2 (0.54) LOXL2F10NOS3NOS1NOS2
SCHEMBL20880146 0.77 LOXL2 (0.52) LOXL2F10NOS3NOS1NOS2
SCHEMBL23734498 0.74 NOS1 (0.55) LOXL2F10NOS3NOS1NOS2

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-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY 2023-05-18 — — 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-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME SPHK2, SPHK1, CLK2 LOXL2 1692/4885F10 4121/4885NOS3 986/4885

“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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