SCHEMBL1283465

SCHEMBL1283465

CCCCn1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)nc2c(OCCNCC3CCCCC3)cc(OCCNCC3CCCCC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
PPARG P37231 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AVPR1B P47901 9/20 0.35
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CASR P41180 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL1283468 0.85 PPARG (0.36) PIN1PPARGCASRDRD2DRD3
SCHEMBL1283054 0.85 KDM4E (0.45) SMN1; SMN2AVPR1BKDM4EALDH1A1
SCHEMBL1283478 0.84 KDM4E (0.45) SMN1; SMN2AVPR1BKDM4EALDH1A1
SCHEMBL1283736 0.81 DRD3 (0.45) PIN1PPARGCASRDRD2DRD3
SCHEMBL1283573 0.80 CHRNB4 (0.43)
SCHEMBL1615375 0.80 CASR (0.39) PIN1PPARGTP53MAPTSMN1; SMN2
SCHEMBL1282468 0.79 KDM4E (0.40) SMN1; SMN2AVPR1BKDM4EALDH1A1DRD2
SCHEMBL1283720 0.79 KDM4E (0.40) SMN1; SMN2AVPR1BKDM4EALDH1A1DRD2
SCHEMBL1283955 0.78 KDM4E (0.49) SMN1; SMN2KDM4EALDH1A1
SCHEMBL1283920 0.77 DRD2 (0.38) PIN1PPARGKDM4ECASRDRD2

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 2890/4885PPARG 920/4885TP53 257/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PIN1 2650/4885PPARG 905/4885TP53 238/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B PIN1 2650/4885PPARG 905/4885TP53 238/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PIN1 2650/4885PPARG 905/4885TP53 238/4885

“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.