SCHEMBL14197239

SCHEMBL14197239

CC(C)c1nc2ccc(OC(=O)CCN3CCOCC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RUNX1 Q01196 2/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39

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
SCHEMBL14224666 0.87 ACHE (0.51) ACHENPC1RAB9ASMN1; SMN2RUNX1
SCHEMBL14197240 0.82 ACHE (0.60) ACHEKMT2AMEN1HTTNPC1
SCHEMBL14197241 0.80 TERT (0.60) HTTRAB9AKDM4E
SCHEMBL27819847 0.69 ALDH1A1 (0.61) KMT2AALDH1A1MAPT
SCHEMBL3380635 0.68 ACHE (0.55) ACHENPC1RAB9ASMN1; SMN2RUNX1
SCHEMBL14224667 0.68 ACHE (0.67) ACHEKMT2AMEN1NPC1RUNX1
SCHEMBL6978538 0.67 KDM4E (0.58) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL6759192 0.67 MEN1 (0.79) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL14224496 0.66 TERT (0.64) HTTRAB9AKDM4E
SCHEMBL24177770 0.66 SMN1; SMN2 (0.56) KMT2AMEN1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 — — US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 — — 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 ACHE 634/4885KMT2A 3292/4885MEN1 4449/4885

“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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