SCHEMBL14257556

SCHEMBL14257556

COc1ccccc1N/C(=N\C#N)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 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
SCHEMBL2086878 1.00 RAB9A (0.46) RAB9AALDH1A1HPGDHTTKMT2A
SCHEMBL2086609 0.87 ALDH1A1 (0.51) RAB9AALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL12781697 0.87 ALDH1A1 (0.51) RAB9AALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL7395906 0.85 ALDH1A1 (0.48) ALDH1A1HTTKMT2ASMN1; SMN2LMNA
SCHEMBL7395908 0.85 ALDH1A1 (0.48) ALDH1A1HTTKMT2ASMN1; SMN2LMNA
SCHEMBL14257564 0.83 RAB9A (0.43) RAB9AALDH1A1HPGDKMT2ATSHR
SCHEMBL4777719 0.83 RAB9A (0.43) RAB9AALDH1A1HPGDKMT2ATSHR
SCHEMBL4777722 0.83 RAB9A (0.43) RAB9AALDH1A1HPGDKMT2ATSHR
SCHEMBL11244903 0.81 HPGD (0.41) RAB9AHPGDHTTKMT2ALMNA
SCHEMBL11244909 0.81 HPGD (0.41) RAB9AHPGDHTTKMT2ALMNA

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 RAB9A 3303/4885ALDH1A1 852/4885HPGD 766/4885

“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.