SCHEMBL2293445

SCHEMBL2293445

CC(=S)Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
CYP2D6 P10635 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.51
OPRK1 P41145 1/20 0.51
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
TYMP P19971 3/20 0.45
NOS1 P29475 1/20 0.42
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL15325016 0.85 LMNA (0.61) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL11109803 0.84 LMNA (0.56) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL8530813 0.81 LMNA (0.59) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL3914305 0.80 LMNA (0.62) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL11879496 0.79 LMNA (0.61) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL4319784 0.79 LMNA (0.61) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL13657445 0.78 LMNA (0.57) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL3835016 0.78 LMNA (0.60) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL9272320 0.78 KMT2A (0.54) CYP2C19LMNATHRBCYP2D6KMT2A
SCHEMBL17831274 0.77 LMNA (0.56) CYP2C19LMNATHRBCYP2D6KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators THRESHOLD PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2009140553-A2 HYPOXIA ACTIVATED DRUGS OF NITROGEN MUSTARD ALKYLATORS THRESHOLD PHARMACEUTICALS, INC. (US) 2009-11-19 WO 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-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators HIF1AN, HIF1A, HYOU1 CYP2C19 1207/4885LMNA 3450/4885THRB 2298/4885

“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.