SCHEMBL1283156

SCHEMBL1283156

CCCCn1c(-c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)nc2c(OC(C)C3CCCN3)cc(OC(C)C3CCCN3)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.37
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ TP53 P04637 2/20 0.32
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL1283066 0.91 SLC6A4 (0.37) CASRSLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1283576 0.90 CASR (0.36) CASRSLC6A4MEN1KMT2ATP53
SCHEMBL1283154 0.77 CHRNB4 (0.43) —
SCHEMBL1283851 0.75 KDM4E (0.43) ADORA1SMN1; SMN2
SCHEMBL1283064 0.75 KDM4E (0.36) CASRSLC6A4
SCHEMBL1614303 0.75 CASR (0.40) CASRMEN1KMT2AADORA1TLR7
SCHEMBL1614279 0.74 ADORA2A (0.37) CASRSLC6A4MEN1KMT2AMCHR1
SCHEMBL1283300 0.73 KDM4E (0.48) CASRTLR7
SCHEMBL1283109 0.72 KDM4E (0.39) CASRMEN1KMT2AADORA1TLR7
SCHEMBL1615301 0.72 MEN1 (0.42) SLC6A4MEN1KMT2ASCN9ATP53

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 CASR 99/4885SLC6A4 3560/4885SLC6A2 3361/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CASR 135/4885SLC6A4 3548/4885SLC6A2 3456/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B CASR 135/4885SLC6A4 3548/4885SLC6A2 3456/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CASR 135/4885SLC6A4 3548/4885SLC6A2 3456/4885

“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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