SCHEMBL306805

SCHEMBL306805

c1ccc(COc2ccc(Oc3cccc(Cn4cncn4)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 4/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP19A1 P11511 4/20 0.56
TSHR P16473 2/20 0.56
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
STS P08842 1/20 0.47
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TRPV6 Q9H1D0 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL305666 0.87 CYP19A1 (0.55) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL3235402 0.86 NPC1 (0.72) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL305487 0.85 CYP19A1 (0.76) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL10222065 0.84 TSHR (0.58) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL306245 0.79 CYP19A1 (0.76) KDM4EALDH1A1CYP19A1STSHDAC1
SCHEMBL10172574 0.77 CYP19A1 (0.47) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL305406 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9491438 0.75 FFAR1 (0.68) LMNAFFAR1FFAR4HDAC6
SCHEMBL307005 0.75 CYP19A1 (0.66) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL9403761 0.74 LMNA (0.68) RAB9ALMNATP53MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 SMN1; SMN2 4723/4885NPC1 4197/4885RAB9A 2155/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 SMN1; SMN2 3617/4885NPC1 3132/4885RAB9A 821/4885

“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.