SCHEMBL16744731

SCHEMBL16744731

CCCc1cc([N+](=O)[O-])cc(F)c1O[C@@H]1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
SOS1 Q07889 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
RIPK1 Q13546 6/20 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
SCHEMBL24180090 0.82 RIPK1 (0.41) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL16744707 0.81 MEN1 (0.34) MEN1KMT2APOLBHTT
SCHEMBL16744734 0.80 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL16744706 0.80 MEN1 (0.41) MEN1KMT2APOLBHTT
SCHEMBL16744704 0.80 MEN1 (0.41) MEN1KMT2APOLBHTT
SCHEMBL8168900 0.78 HTR2C (0.34) PDE4DPDE4APDE4BPDE4CSOS1
SCHEMBL16747607 0.78 HTR2C (0.34) PDE4DPDE4APDE4BPDE4CSOS1
SCHEMBL24180071 0.74 RIPK1 (0.39) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL16744705 0.73 PTPN2 (0.41) POLB
SCHEMBL31481195 0.72 HSPB1 (0.45) PDE4DPDE4APDE4BPDE4CMEN1

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 PDE4D 2115/4885PDE4A 2184/4885PDE4B 1523/4885

“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.