SCHEMBL1283601

SCHEMBL1283601

CCCCNc1cc(OCCC2CCCN2)cc(OCCC2CCCN2)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 3/20 0.45
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
CHRNA2 Q15822 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
P2RY12 Q9H244 1/20 0.33
CHEK2 O96017 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MERTK Q12866 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL1283230 0.77 LTA4H (0.49) SMN1; SMN2
SCHEMBL1284405 0.74 TLR8 (0.47) CYP1A2SMN1; SMN2
SCHEMBL1283924 0.73 HSP90AA1 (0.41) CYP1A2CYP2D6HIF1AHSP90AA1HSP90AB1
SCHEMBL1283603 0.73 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL1283533 0.71 HRH3 (0.43)
SCHEMBL5025845 0.70 CHRNB4 (0.49) CHRNB4CHRNA3CHEK2CHEK1
SCHEMBL7792043 0.69 KCNA3 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3P2RY12
SCHEMBL7796453 0.67 CYP1A2 (0.35) CHRNB2CHRNA4CYP1A2CYP2C19CHRNB4
SCHEMBL5027399 0.67 ALDH1A1 (0.45) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL11457361 0.66 CHRNB4 (0.54) CHRNB4CHRNA3CHEK2CHEK1

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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 551/4885CHRNA4 611/4885CYP1A2 2413/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 707/4885CHRNA4 591/4885CYP1A2 2380/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885CYP1A2 2396/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885CYP1A2 2396/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885CYP1A2 2396/4885

“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.