SCHEMBL2605604

SCHEMBL2605604

C#CCCCCOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL16774458 0.85 KMT2A (0.55) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL7627622 0.84 S1PR4 (0.55) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL8596386 0.84 S1PR4 (0.58) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL6427203 0.83 S1PR4 (0.60) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL23851490 0.82 S1PR4 (0.59) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL17066377 0.80 S1PR4 (0.60) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL16065198 0.79 NPC1 (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3142475 0.79 S1PR4 (0.63) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL18952558 0.78 S1PR4 (0.55) S1PR4KMT2AMEN1NPC1RAB9A
SCHEMBL15779409 0.77 S1PR4 (0.64) S1PR4KMT2AMEN1NPC1RAB9A

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-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 S1PR4 1184/4885KMT2A 2156/4885MEN1 231/4885

“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.