SCHEMBL18135099

SCHEMBL18135099

CNC(=O)c1cc(N2CCCCC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.51
▸ NR2C2 P49116 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ TAB1 Q15750 2/20 0.51
▸ USP30 Q70CQ3 1/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KLF5 Q13887 1/20 0.49
▸ HRH4 Q9H3N8 3/20 0.48
▸ TP53BP1 Q12888 3/20 0.43
▸ KIT P10721 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ CTSA P10619 1/20 0.43

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
SCHEMBL14882630 0.87 USP30 (0.52) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL18135106 0.86 CTSA (0.56) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL29960561 0.86 HRH4 (0.52) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL29115424 0.86 HRH4 (0.52) NFKB1NR2C2NFKB2RELATAB1
Hydrochloric Acid SCHEMBL900436 0.85 HRH4 (0.51) USP30MAPTHTTHRH4TP53BP1
SCHEMBL10098376 0.81 KDM4E (0.50) USP30NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2563476 0.81 USP30 (0.43) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL14882601 0.81 USP30 (0.47) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL15330360 0.80 USP30 (0.45) NFKB1NR2C2NFKB2RELATAB1
Hydrochloric Acid SCHEMBL14876289 0.80 KDM4E (0.49) USP30NPC1MAPTRAB9ASMN1; 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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — 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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH NFKB1 2016/4885NR2C2 2950/4885NFKB2 2928/4885

“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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