SCHEMBL13566166

SCHEMBL13566166

O=[N+]([O-])c1cnccc1CCCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
GSTP1 P09211 3/20 0.37
PKM P14618 1/20 0.37
GSTM2 P28161 3/20 0.36
TSHR P16473 2/20 0.36
TXNRD1 Q16881 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35

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
SCHEMBL1982550 0.90 ALDH1A1 (0.44) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL5115689 0.84 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL3050464 0.83 ALDH1A1 (0.42) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL27658733 0.81 ALDH1A1 (0.41) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL27608929 0.79 ALDH1A1 (0.44) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL12343951 0.79 ALDH1A1 (0.46) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL3329624 0.78 CYP1A2 (0.57) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL3329616 0.78 CYP1A2 (0.57) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL27933490 0.78 ALDH1A1 (0.41) ALDH1A1HTTRAB9AMAPTMEN1
SCHEMBL14705521 0.77 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTMEN1

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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS ALDH1A1 1654/4885HTT 4258/4885RAB9A 2113/4885

“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.