SCHEMBL9100883

SCHEMBL9100883

Cc1c(F)cccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
PRMT1 Q99873 1/20 0.50
FBP1 P09467 11/20 0.47
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
VCP P55072 3/20 0.44
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
ITGA4 P13612 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL9100888 1.00 RXRA (0.51) RXRAPRMT1FBP1MEN1PSMD14
SCHEMBL28594822 0.82 RXRA (0.54) RXRAPRMT1FBP1MEN1PSMD14
SCHEMBL17103952 0.82 RXRA (0.54) RXRAPRMT1FBP1MEN1PSMD14
SCHEMBL17103950 0.82 RXRA (0.54) RXRAPRMT1FBP1MEN1PSMD14
SCHEMBL4723192 0.82 NFE2L2 (0.58) RXRAPRMT1FBP1MEN1KMT2A
SCHEMBL470811 0.82 NFE2L2 (0.58) RXRAPRMT1FBP1MEN1KMT2A
SCHEMBL30914655 0.82 NFE2L2 (0.58) RXRAPRMT1FBP1MEN1KMT2A
SCHEMBL10517814 0.79 HSP90AA1 (0.61) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL1806009 0.79 ERN1 (0.55) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL17104088 0.79 RXRA (0.51) RXRAPRMT1FBP1MEN1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459557-B1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-09-18 EP disclosed
US-8415336-B2 Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-04-09 US disclosed
US-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 US disclosed
EP-2459557-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-06-06 EP 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-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, ACE, PM20D2 RXRA 1874/4885PRMT1 72/4885FBP1 3303/4885

“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.