SCHEMBL27113643

SCHEMBL27113643

CC(C)(C)NCc1cc(CN)ccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 16/20 0.47
▸ LOX P28300 5/20 0.47
▸ LOXL3 P58215 1/20 0.47
▸ ROCK1 Q13464 1/20 0.38
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35

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
SCHEMBL27113641 0.86 LOXL2 (0.40) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL27112913 0.84 NOS3 (0.48) NOS3NOS1NOS2
SCHEMBL17886852 0.78 KDM1A (0.47) NOS3NOS1NOS2
SCHEMBL27113645 0.78 KDM5C (0.38) LOXL2LOX
SCHEMBL27112912 0.76 CYP1A2 (0.42) NOS3NOS1NOS2
SCHEMBL4107151 0.76 LOXL2 (0.61) LOXL2LOXLOXL3ROCK1NOS3
SCHEMBL1654460 0.75 LOXL2 (0.55) LOXL2LOXLOXL3ROCK1NOS3
Hydrochloric Acid SCHEMBL5013442 0.74 LOXL2 (0.59) LOXL2LOXLOXL3ROCK1NOS3
SCHEMBL21799477 0.74 PNMT (0.44) LOXL2NOS3NOS1NOS2
SCHEMBL10254409 0.74 ADRB2 (0.56) NOS3NOS2

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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 LOXL2 3259/4885LOX 2179/4885LOXL3 2284/4885

“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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