SCHEMBL4309040

SCHEMBL4309040

Cc1ccccc1C(Cn1nccn1)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRB1 P08588 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSA P10619 1/20 0.33
ESR1 P03372 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
SCHEMBL4308060 0.85 POLB (0.36) NR3C2ALDH1A1HPGDKMT2A
SCHEMBL13667366 0.84 AVPR2 (0.42)
SCHEMBL4312053 0.84 AVPR2 (0.42)
SCHEMBL13667367 0.84 AVPR2 (0.42)
SCHEMBL4316123 0.81 AVPR2 (0.45)
SCHEMBL4307811 0.80 ADRB1 (0.44) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL23347786 0.78 ALDH1A1 (0.41) NR3C2ALDH1A1KMT2AESR1
SCHEMBL4308663 0.78 ADRB1 (0.36) NR3C2ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL4307876 0.76 AOC3 (0.40) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL14215864 0.76 CYP1A2 (0.46) NR3C2ALDH1A1ESR1

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 7 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
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 NR3C2 874/4885ALDH1A1 1039/4885ADRB1 1029/4885

“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.