SCHEMBL16747648

SCHEMBL16747648

CN(Cc1cc([N+](=O)[O-])cc(F)c1O[C@@H]1COC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
ALDH1A1 P00352 1/20 0.39
NT5E P21589 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ATM Q13315 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL16737859 0.88 PTGDR2 (0.35) ALDH1A1TDP1ARMAPK1PTGDR2
SCHEMBL16737861 0.88 PTGDR2 (0.35) ALDH1A1TDP1ARMAPK1PTGDR2
SCHEMBL16738029 0.85 PTGDR2 (0.34) ALDH1A1TDP1PTGDR2ATM
SCHEMBL16738027 0.85 PTGDR2 (0.34) ALDH1A1TDP1PTGDR2ATM
SCHEMBL16744705 0.80 PTPN2 (0.41) BCHEALDH1A1MAPTSMN1; SMN2PTPN2
SCHEMBL16293606 0.77 ITGA4 (0.44) ALDH1A1CRHBPCRHR2NPC1RAB9A
SCHEMBL16737740 0.76 CYP19A1 (0.48) ALDH1A1MAPTMAPK1CRHBPCRHR2
SCHEMBL16297339 0.75 CYP19A1 (0.39) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL16296538 0.75 ITGA4 (0.39) ALDH1A1PTGDR2
SCHEMBL16747635 0.74 CYP19A1 (0.36) ALDH1A1PTGDR2ATMSIGMAR1

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 BCHE 1846/4885ALDH1A1 2542/4885NT5E 2761/4885

“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.