SCHEMBL16317399

SCHEMBL16317399

O=CNc1nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ DYRK1A Q13627 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ APP P05067 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ RIPK1 Q13546 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL11157181 0.86 DYRK1A (0.64) DYRK1AMAPTHTTPOLBSTAT1
SCHEMBL16317400 0.83 SCD (0.51) SCDDYRK1AMAPTGAAHPGD
SCHEMBL5348758 0.82 SCD (0.65) SCDDYRK1AMAPTGAAHPGD
SCHEMBL5350882 0.81 PTPN1 (0.64) SCDPTPN1DYRK1AMAPTHPGD
SCHEMBL14375443 0.81 SCD (0.69) SCDDYRK1AMAPTGAAHPGD
SCHEMBL5343556 0.79 CYP3A4 (0.72) SCDPTPN1MAPTGAAHPGD
SCHEMBL14375386 0.79 SMN1; SMN2 (0.72) SCDPTPN1MAPTHTTAPP
SCHEMBL211763 0.77 NPC1 (0.64) SCDDYRK1AMAPTGAAHPGD
SCHEMBL5352456 0.74 NPC1 (0.61) SCDPTPN1DYRK1AMAPTGAA
SCHEMBL211725 0.74 DYRK1A (0.65) SCDDYRK1AMAPTGAAHTT

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-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 SCD 4477/4885PTPN1 2670/4885DYRK1A 2174/4885

“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.

Send feedback