SCHEMBL1283532

SCHEMBL1283532

[CH2]CCOc1ccc2nc(-c3cccc(Oc4ccccc4)c3)n(CCCC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
PIN1 Q13526 1/20 0.48
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ACSS2 Q9NR19 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
LTA4H P09960 1/20 0.41
PPARG P37231 2/20 0.41

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
SCHEMBL1282989 0.93 PIN1 (0.55) TP53PIN1MAPTKDM4EALDH1A1
SCHEMBL1283484 0.91 TP53 (0.47) TP53PIN1MAPTKDM4EALDH1A1
SCHEMBL1283928 0.88 DRD3 (0.60) TP53PIN1MAPTDRD2DRD3
SCHEMBL1283704 0.85 ESR1 (0.46) TP53PIN1KDM4EALDH1A1GAA
SCHEMBL1283434 0.83 ESR1 (0.44) TP53PIN1KDM4EALDH1A1GAA
SCHEMBL3555528 0.83 TP53 (0.44) TP53PIN1MAPTKDM4EALDH1A1
SCHEMBL1283276 0.83 DRD2 (0.50) TP53PIN1MAPTKDM4EALDH1A1
SCHEMBL1282846 0.83 DRD3 (0.55) TP53PIN1MAPTKDM4EALDH1A1
SCHEMBL1283549 0.82 SLC6A4 (0.46) TP53PIN1KDM4EALDH1A1GAA
SCHEMBL1283062 0.82 PIN1 (0.44) TP53PIN1MAPTKDM4EALDH1A1

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 TP53 257/4885PIN1 2890/4885MAPT 526/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TP53 238/4885PIN1 2650/4885MAPT 430/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B TP53 238/4885PIN1 2650/4885MAPT 430/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TP53 238/4885PIN1 2650/4885MAPT 430/4885

“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.