SCHEMBL14257580

SCHEMBL14257580

N#C/N=C(\Nc1ccccc1F)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CASP3 P42574 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HPGD P15428 2/20 0.36
EGFR P00533 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL14257629 0.90 RAB9A (0.40) NPC1RAB9ANPSR1SMN1; SMN2EPHX2
SCHEMBL14257651 0.86 KMT2A (0.41) NPC1RAB9ANPSR1SMN1; SMN2KMT2A
SCHEMBL14258949 0.86 KMT2A (0.41) NPC1RAB9ANPSR1SMN1; SMN2KMT2A
SCHEMBL14257574 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL11174714 0.85 HDAC1 (0.41) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL11174712 0.85 HDAC1 (0.41) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL11244903 0.84 HPGD (0.41) NPC1RAB9AKMT2AGAAPKM
SCHEMBL11244909 0.84 HPGD (0.41) NPC1RAB9AKMT2AGAAPKM
SCHEMBL14257757 0.82 KMT2A (0.35) NPC1RAB9AKMT2AALDH1A1P2RX7
SCHEMBL4777719 0.82 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 NPC1 635/4885RAB9A 3303/4885NPSR1 52/4885

“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.