SCHEMBL14192604

SCHEMBL14192604

O=C(O)c1ncc(-c2ccncc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.50
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
STAT1 P42224 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46

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
SCHEMBL5109428 0.98 FAAH (0.49) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL27789997 0.87 FAAH (0.51) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL892926 0.85 TUBB4A (0.59) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL4790263 0.84 TUBB4A (0.57) FAAHKDM4ENPC1ALDH1A1HPGD
Lithium Ion SCHEMBL5109424 0.83 FAAH (0.48) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL2724813 0.81 ALDH1A1 (0.55) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL31301334 0.81 NOTUM (0.54) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL8141902 0.81 FAAH (0.56) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL19075477 0.81 NPC1 (0.58) FAAHKDM4ENPC1ALDH1A1HPGD
SCHEMBL31301323 0.80 HDAC1 (0.54) FAAHTUBB4ATUBBTUBA3CTUBA1B

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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 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 (2 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 FAAH 1139/4885KDM4E 2378/4885NPC1 1205/4885
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 FAAH 1189/4885KDM4E 3396/4885NPC1 1175/4885

“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.