SCHEMBL4306643

SCHEMBL4306643

NC(=O)OC(Cn1cnnn1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HMOX1 P09601 1/20 0.37
TP53 P04637 2/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CA5A P35218 1/20 0.34
DPP4 P27487 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL4306831 0.86 RAB9A (0.39) ALDH1A1RAB9APOLBDPP4
SCHEMBL13667364 0.85 AVPR2 (0.40) ALDH1A1HMOX1TP53POLBAVPR2
SCHEMBL4310318 0.85 AVPR2 (0.40) ALDH1A1HMOX1TP53POLBAVPR2
SCHEMBL13667365 0.85 AVPR2 (0.40) ALDH1A1HMOX1TP53POLBAVPR2
SCHEMBL4304627 0.82 HMOX1 (0.43) HMOX1TP53
SCHEMBL4309086 0.80 DPP4 (0.36) ALDH1A1HMOX1RAB9APOLBIDO1
SCHEMBL4313709 0.78 POLB (0.36) POLBAVPR2AVPR1AGAAIDO1
SCHEMBL13667447 0.77 MEN1 (0.37) ALDH1A1HMOX1TP53POLB
SCHEMBL13667446 0.77 MEN1 (0.37) ALDH1A1HMOX1TP53POLB
SCHEMBL4313237 0.76 MAPK1 (0.39) ALDH1A1POLBAVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 ALDH1A1 1039/4885HMOX1 1965/4885TP53 4534/4885

“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.