SCHEMBL305666

SCHEMBL305666

Oc1ccc(Oc2cccc(Cn3cncn3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TSHR P16473 1/20 0.51
STS P08842 2/20 0.51
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL306805 0.87 SMN1; SMN2 (0.62) CYP19A1KDM4EALDH1A1HDAC1HDAC6
SCHEMBL10222065 0.84 TSHR (0.58) CYP19A1KDM4EALDH1A1TSHRSTS
SCHEMBL306245 0.83 CYP19A1 (0.76) CYP19A1KDM4EALDH1A1HDAC1HDAC6
SCHEMBL27828942 0.81 CYP19A1 (0.65) CYP19A1HDAC1HDAC6STS
SCHEMBL10172574 0.81 CYP19A1 (0.47) CYP19A1KDM4EALDH1A1HDAC1HDAC6
SCHEMBL307083 0.79 CYP19A1 (0.81) CYP19A1HDAC1HDAC6STS
SCHEMBL307347 0.76 CYP19A1 (0.67) CYP19A1HDAC1HDAC6STS
SCHEMBL305638 0.76 CYP19A1 (0.76) CYP19A1HDAC1HDAC6STS
SCHEMBL3235365 0.76 CYP19A1 (0.69) CYP19A1HDAC1HDAC6
SCHEMBL2401045 0.75 CYP19A1 (0.65) CYP19A1HDAC1HDAC6STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 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 (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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 CYP19A1 1/4885KDM4E 930/4885ALDH1A1 625/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885KDM4E 990/4885ALDH1A1 1841/4885

“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.