SCHEMBL9918686

SCHEMBL9918686

CCOC(=O)c1c[nH]c([N+](=O)[O-])c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
CLEC4M Q9H2X3 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4048529 0.76 KMT2A (0.47) ALDH1A1LMNAHPGDGABRA1GABRB2
SCHEMBL19889908 0.75 CLEC4M (0.48) ALDH1A1LMNAGABRA1GABRB2MEN1
SCHEMBL9921649 0.75 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL9912472 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL3212436 0.71 MEN1 (0.47) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL3221048 0.70 MEN1 (0.46) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL18131166 0.70 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL1465652 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL27601395 0.70 CA12 (0.48) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL9979815 0.69 AR (0.64) SMN1; SMN2MEN1KMT2AADORA3

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885SMN1; SMN2 4199/4885LMNA 4638/4885

“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.