SCHEMBL1348478

SCHEMBL1348478

Cc1ccc(Br)c(Cl)[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27911790 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTGPR84
SCHEMBL30505270 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTGPR84
SCHEMBL11956555 0.76 KDM4E (0.38) ALDH1A1KDM4EMAPTGPR84
SCHEMBL31462144 0.73 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL31462145 0.73 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL1349613 0.70 NQO2 (0.33) ALDH1A1KDM4EMAPT
SCHEMBL17316478 0.68 TSHR (0.39) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL8781356 0.67 MAPT (0.50) ALDH1A1KDM4EMAPTNPC1S1PR4
SCHEMBL11956561 0.67 KDM4E (0.38) ALDH1A1KDM4EMAPT
SCHEMBL943724 0.67

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
WO-2015198046-A1 1,3-SUBSTITUTED 2-AMINOINDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2480533-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102498100-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2012-06-13 CN disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-8063072-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2011033045-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 ALDH1A1 597/4885KDM4E 2295/4885MAPT 4592/4885
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 ALDH1A1 1063/4885KDM4E 556/4885MAPT 4494/4885
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 ALDH1A1 4239/4885KDM4E 2860/4885MAPT 3830/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ALDH1A1 1136/4885KDM4E 1962/4885MAPT 4356/4885

“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.