SCHEMBL1282989

SCHEMBL1282989

[CH2]CCOc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)n(CCCC)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.55
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.45
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 1/20 0.44
CHEK2 O96017 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
PDE6D O43924 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
SCHEMBL1283532 0.93 TP53 (0.48) PIN1DRD2DRD3KDM4EGAA
SCHEMBL1283276 0.89 DRD2 (0.50) PIN1DRD2DRD3KDM4EGAA
SCHEMBL1282991 0.87 DRD3 (0.68) PIN1DRD2DRD3
SCHEMBL1283554 0.87 PIN1 (0.53) PIN1DRD2DRD3KDM4EGAA
SCHEMBL1283484 0.85 TP53 (0.47) PIN1DRD2DRD3KDM4EGAA
SCHEMBL1283287 0.81 ESR1 (0.49) PIN1DRD2DRD3LTA4H
SCHEMBL1283928 0.81 DRD3 (0.60) PIN1DRD2DRD3MAPTTP53
SCHEMBL1283570 0.80 ACSS2 (0.43) DRD2DRD3GAALMNAMAPT
SCHEMBL1283434 0.79 ESR1 (0.44) PIN1KDM4EGAAALDH1A1TP53
SCHEMBL1283704 0.78 ESR1 (0.46) PIN1KDM4EGAAALDH1A1TP53

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PIN1 2890/4885DRD2 4530/4885DRD3 4032/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PIN1 2650/4885DRD2 4691/4885DRD3 4321/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B PIN1 2650/4885DRD2 4691/4885DRD3 4321/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PIN1 2650/4885DRD2 4691/4885DRD3 4321/4885

“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.