SCHEMBL12494587

SCHEMBL12494587

C[C@@H](C=O)Nc1ccc(F)cc1N=O

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.31
▸ NPC1 O15118 4/20 0.31
▸ RAB9A P51151 4/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL13689913 0.74 HTT (0.36) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13349613 0.70 MAPT (0.36) GAARAB9ARECQLSMN1; SMN2MEN1
SCHEMBL14138229 0.65 CES2 (0.34) NPC1RAB9ALMNAMAPTHTT
SCHEMBL12239458 0.64 TRPA1 (0.35) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12493935 0.63 CES2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19417892 0.62 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23863718 0.62 MAPT (0.32) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12527125 0.62 KMT2A (0.32) KMT2ALMNAHTT
SCHEMBL13106404 0.61 KDM4E (0.40) NPC1RAB9AMAPTALDH1A1PKM
SCHEMBL28797017 0.61 ADRA2A (0.38) HTT

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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B GAA 1833/4885NPC1 4022/4885RAB9A 590/4885

“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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