SCHEMBL6750655

SCHEMBL6750655

N#CC(N)Cc1ccnc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.53
▸ LOX P28300 1/20 0.53
▸ LOXL3 P58215 1/20 0.53
▸ RECQL P46063 1/20 0.49
▸ GRM5 P41594 2/20 0.43
▸ EPHX1 P07099 1/20 0.39
▸ TRPA1 O75762 1/20 0.34
▸ MGMT P16455 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ PNMT P11086 2/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ SMARCA2 P51531 2/20 0.31
▸ SMARCA4 P51532 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ PDE5A O76074 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
SCHEMBL6755268 0.80 GRM5 (0.41) LOXL2LOXGRM5FFAR1NR3C2
SCHEMBL2927949 0.74 LOXL2 (0.43) LOXL2CYP11B1CYP11B2
SCHEMBL6751233 0.74 LOXL2 (0.43) LOXL2CYP11B1CYP11B2
SCHEMBL10159790 0.73 RECQL (0.57) LOXL2LOXLOXL3RECQLGRM5
SCHEMBL9280722 0.73 RECQL (0.57) LOXL2LOXLOXL3RECQLGRM5
SCHEMBL1437084 0.73 LOXL2 (0.57) LOXL2LOXLOXL3RECQLGRM5
SCHEMBL28455100 0.72 PNMT (0.62) PNMT
SCHEMBL29556838 0.72 HSD17B10 (0.55) LOXL2LOXLOXL3RECQLEPHX1
SCHEMBL7270108 0.72 HSD17B10 (0.55) LOXL2LOXLOXL3RECQLEPHX1
SCHEMBL904475 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US disclosed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — 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-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 LOXL2 2261/4885LOX 849/4885LOXL3 2689/4885

“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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