SCHEMBL3735301

SCHEMBL3735301

Fc1cccc2nc(C(Cl)Cl)cn12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6748393 0.79 RAB9A (0.34) RAB9A
SCHEMBL14113217 0.79 MAPT (0.44) RAB9AKDM4ENPC1ALDH1A1GAA
SCHEMBL30892582 0.78 PDE10A (0.39) ALDH1A1HSD17B10
SCHEMBL5547638 0.72 KDM4E (0.33) RAB9AKDM4ENPC1ALDH1A1GLA
SCHEMBL15004601 0.72 RAB9A (0.38) RAB9AKDM4ENPC1ALDH1A1GLA
SCHEMBL3727714 0.71 — —
SCHEMBL3738135 0.71 RAB9A (0.41) RAB9AKDM4ENPC1ALDH1A1GAA
SCHEMBL13050204 0.68 RAB9A (0.33) RAB9AKDM4ENPC1ALDH1A1GLA
SCHEMBL3702111 0.68 ALDH1A1 (0.38) RAB9AKDM4ENPC1ALDH1A1GLA
SCHEMBL21045066 0.67 RAB9A (0.49) RAB9AKDM4ENPC1ALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280010-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-11-04 — — US disclosed
EP-1919872-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 — — EP disclosed
EP-1799671-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 — — EP disclosed
EP-1784185-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 — — EP disclosed
EP-1984376-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-08 — — EP disclosed
EP-1984376-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-29 — — EP disclosed
US-20080234318-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 — — US disclosed
US-20080234318-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 — — US disclosed
US-20080207634-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-08-28 — — US disclosed
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — US disclosed
WO-2007087549-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 — — WO disclosed
EP-1799671-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-27 — — EP disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 — — EP disclosed
EP-1784185-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-05-16 — — EP disclosed
WO-2007027999-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 — — WO disclosed
WO-2007027999-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 — — WO disclosed
WO-2006076131-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-07-20 — — WO disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 — — WO disclosed
WO-2006028896-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 — — WO disclosed
WO-2006026703-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-09 — — WO 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-20080234318-A1 Chemical Compounds CCR5, CXCR4, CXCR3 RAB9A 1478/4885KDM4E 3962/4885NPC1 243/4885
US-20100280010-A1 CHEMICAL COMPOUNDS CCR5, CXCR4, CXCR3 RAB9A 1478/4885KDM4E 3962/4885NPC1 243/4885
US-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 RAB9A 1507/4885KDM4E 4010/4885NPC1 187/4885
US-20080207634-A1 Chemical Compounds CCR5, CXCR4, CXCR3 RAB9A 1813/4885KDM4E 4363/4885NPC1 347/4885

“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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