SCHEMBL10300650

SCHEMBL10300650

[C-]#[N+]c1ccc2[nH]c(CO)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 5/20 0.38
▸ RHEB Q15382 8/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ F2 P00734 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 1/20 0.31

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
SCHEMBL7161852 0.74 FLT3 (0.52) LOXL2RHEBSIRT1
SCHEMBL3578511 0.73 CYP2A6 (0.53) LOXL2RHEBSIRT1F2BCHE
SCHEMBL11865173 0.73 LOXL2 (0.68) LOXL2SMN1; SMN2
SCHEMBL12715335 0.73 CYP2A6 (0.53) MAOAMAOBSMN1; SMN2
SCHEMBL5100201 0.73 CYP19A1 (0.47) LOXL2RHEBSIRT1
SCHEMBL4740651 0.73 LOXL2 (0.68) LOXL2RHEBSIRT1SMN1; SMN2
SCHEMBL10300662 0.72 ALOX15 (0.43) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL10300658 0.71 SMAD3 (0.60) —
SCHEMBL11710173 0.70 KDM4E (0.47) LOXL2RHEB
SCHEMBL29777912 0.70 LOXL2 (0.64) LOXL2MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 — — US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 — — US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 — — US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 — — 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 (3 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 LOXL2 1530/4885RHEB 1180/4885SIRT1 797/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 LOXL2 1530/4885RHEB 1180/4885SIRT1 797/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 LOXL2 1530/4885RHEB 1180/4885SIRT1 797/4885

“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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