SCHEMBL4312848

SCHEMBL4312848

COc1ccc(C(Cn2ncnn2)OC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALOX5 P09917 1/20 0.38
TNF P01375 1/20 0.36
AOC3 Q16853 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP4 Q9UKK3 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KLK7 P49862 1/20 0.34
KMT2A Q03164 1/20 0.34
KLK14 Q9P0G3 1/20 0.34
KLK5 Q9Y337 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MAT2A P31153 1/20 0.34

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
SCHEMBL4318298 0.88 POLB (0.33) ALOX5UTS2R
SCHEMBL4308608 0.86 POLB (0.36)
SCHEMBL4316364 0.86 ADRB1 (0.47) ADRB1HTR2AHTR2BSIGMAR1ALOX5
SCHEMBL4310222 0.86 ACHE (0.40) TNFALDH1A1
SCHEMBL4310159 0.86 SCN4A (0.38) ADRB1HTR2AHTR2BSIGMAR1PARP10
SCHEMBL13667375 0.85 CYP19A1 (0.41) UTS2R
SCHEMBL4312862 0.85 CYP19A1 (0.41) UTS2R
SCHEMBL13667373 0.85 CYP19A1 (0.41) UTS2R
SCHEMBL23307859 0.85 ADRB1 (0.39) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL4311442 0.85 ADRB1 (0.39) ADRB1HTR2AHTR2BSIGMAR1

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 ADRB1 1029/4885HTR2A 1248/4885HTR2B 325/4885

“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.