SCHEMBL4713152

SCHEMBL4713152

O=C1c2ccccc2C(=O)N1CCOc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 1/20 0.64
AGTR1 P30556 1/20 0.64
RAB9A P51151 10/20 0.61
NPC1 O15118 5/20 0.56
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1135982 0.84 ALDH1A1 (0.66) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL2548000 0.80 NPC1 (0.75) ALDH1A1LMNARAB9ANPC1HPGD
SCHEMBL6567482 0.80 RAB9A (0.62) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL28490932 0.79 ALDH1A1 (0.76) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL16065398 0.79 ALDH1A1 (0.62) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL9633041 0.79 RAB9A (0.60) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL9631943 0.79 RAB9A (0.60) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL9633218 0.78 RAB9A (0.59) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL9632000 0.78 RAB9A (0.59) ALDH1A1LMNAAGTR1RAB9ANPC1
SCHEMBL9632462 0.77 RAB9A (0.61) ALDH1A1LMNAAGTR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD ALDH1A1 2019/4885LMNA 1300/4885AGTR1 3110/4885

“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.