SCHEMBL30827390

SCHEMBL30827390

C[C@H](N)Cc1nc(-c2ccc(Oc3ccc(OC(F)F)cn3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ KCNH2 Q12809 1/20 0.45
▸ SCN5A Q14524 2/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ ACACB O00763 2/20 0.41
▸ ACACA Q13085 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SCN9A Q15858 4/20 0.36
▸ FPR2 P25090 3/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MITF O75030 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
SCHEMBL27171420 0.88 LTA4H (0.68) LTA4HKCNH2SCN5ASCN10AACACB
SCHEMBL27204783 0.88 LTA4H (0.68) LTA4HKCNH2SCN5ASCN10AACACB
SCHEMBL30005275 0.84 LTA4H (0.52) LTA4HKCNH2SCN9AFPR2
SCHEMBL29123777 0.81 LTA4H (0.51) LTA4HKCNH2SCN10AACACBSMN1; SMN2
SCHEMBL29123780 0.81 LTA4H (0.51) LTA4HKCNH2SCN10AACACBSMN1; SMN2
SCHEMBL30731710 0.80 LTA4H (0.44) LTA4HKCNH2ACACBSMN1; SMN2SCN9A
SCHEMBL29123425 0.80 LTA4H (0.44) LTA4HKCNH2ACACBSMN1; SMN2SCN9A
SCHEMBL27171411 0.79 LTA4H (0.49) LTA4HKCNH2ACACBSMN1; SMN2MITF
SCHEMBL27204690 0.79 LTA4H (0.49) LTA4HKCNH2ACACBSMN1; SMN2MITF
SCHEMBL24665376 0.78 LTA4H (0.56) LTA4HKCNH2SCN5ASCN10ASMN1; SMN2

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-11932630-B2 Heteroaryl aminopropanol derivatives NOVARTIS AG (CH) 2024-03-19 — — 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-11932630-B2 Heteroaryl aminopropanol derivatives CYP3A43, CYP11B2, ADRB3 LTA4H 1006/4885KCNH2 1449/4885SCN5A 271/4885

“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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