SCHEMBL4781017

SCHEMBL4781017

Cc1ccccc1/N=C(/NC#N)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
SIGMAR1 Q99720 5/20 0.42
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
P2RX7 Q99572 8/20 0.37
IMPDH2 P12268 1/20 0.37
ESR1 P03372 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
SCHEMBL4781020 1.00 KMT2A (0.58) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL11244923 0.84 KMT2A (0.59) KMT2AMEN1ALOX15P2RX7IMPDH2
SCHEMBL2086875 0.83 KMT2A (0.56) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL2086872 0.83 KMT2A (0.56) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL11174716 0.82 KMT2A (0.58) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL9954599 0.80 KMT2A (0.56) KMT2AMEN1ALOX15TSHRESR1
SCHEMBL9954596 0.80 KMT2A (0.56) KMT2AMEN1ALOX15TSHRESR1
SCHEMBL11265660 0.80 KMT2A (0.52) KMT2AMEN1ALOX15CXCR2
SCHEMBL3402743 0.80 KMT2A (0.80) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL2087129 0.80 KMT2A (0.80) KMT2ASIGMAR1GRIN2DGRIN3BGRIN1

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
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 KMT2A 3643/4885SIGMAR1 256/4885GRIN2D 702/4885

“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.