SCHEMBL16744706

SCHEMBL16744706

CCCc1cc([N+](=O)[O-])cc(F)c1O[C@@H]1COC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.31
MKNK2 Q9HBH9 2/20 0.30

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
SCHEMBL16744704 1.00 MEN1 (0.41) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL16744707 0.90 MEN1 (0.34) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL16744705 0.83 PTPN2 (0.41) POLBALDH1A1SMN1; SMN2MAPTALOX5
SCHEMBL16744731 0.80 PDE4D (0.35) MEN1KMT2APOLBHTT
SCHEMBL16737859 0.76 PTGDR2 (0.35) ALDH1A1
SCHEMBL16737861 0.76 PTGDR2 (0.35) ALDH1A1
SCHEMBL16744679 0.72 SRD5A2 (0.35) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL16744681 0.71 POLB (0.33) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL16744682 0.71 POLB (0.33) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL16744703 0.70 HTT (0.46) MEN1KMT2APOLBHTTALDH1A1

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-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 MEN1 1271/4885KMT2A 2571/4885POLB 3062/4885

“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.