SCHEMBL1283064

SCHEMBL1283064

CCCCn1c(-c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)nc2c(OCC3CCCN3CC)cc(OCC3CCCN3CC)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHRNB4 P30926 8/20 0.36
▸ CHRNA3 P32297 8/20 0.36
▸ CHRNB2 P17787 7/20 0.36
▸ CHRNB1 P11230 6/20 0.36
▸ CHRNB3 Q05901 6/20 0.36
▸ FAAH O00519 2/20 0.36
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ LTA4H P09960 2/20 0.34

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
SCHEMBL1283154 0.93 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL13314203 0.84 CHRNB4 (0.38) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL1283573 0.83 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL1283851 0.82 KDM4E (0.43) KDM4EALDH1A1LTA4H
SCHEMBL1283300 0.78 KDM4E (0.48) KDM4ECASR
SCHEMBL1614279 0.78 ADORA2A (0.37) SLC6A4CASR
SCHEMBL1614303 0.77 CASR (0.40) KDM4ECASR
SCHEMBL1283060 0.75 AGER (0.47) KDM4ESLC6A4LTA4H
SCHEMBL1283156 0.75 CASR (0.37) SLC6A4CASR
SCHEMBL1283066 0.74 SLC6A4 (0.37) SLC6A4CASR

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 KDM4E 4107/4885ALDH1A1 3404/4885CYP3A4 1965/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885ALDH1A1 3093/4885CYP3A4 1993/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B KDM4E 4138/4885ALDH1A1 3093/4885CYP3A4 1993/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885ALDH1A1 3093/4885CYP3A4 1993/4885

“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.

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