SCHEMBL2923307

SCHEMBL2923307

O=C1CSc2ccc(CCO)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
ATM Q13315 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL2924903 0.88 HTT (0.59) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL17080824 0.85 HTT (0.52) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL7487098 0.82 HTT (0.50) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL13356494 0.81 HTT (0.55) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL10066495 0.81 ALDH1A1 (0.57) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL16413124 0.81 HTT (0.62) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL27621156 0.79 MAOB (0.48) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL5659120 0.77 ATM (0.50) HTTALDH1A1LMNAPOLBKMT2A
SCHEMBL2314300 0.77 GAA (0.45) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL15630926 0.76 MAOB (0.63) HTTALDH1A1LMNAPOLBMAOB

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
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS HTT 2984/4885ALDH1A1 3130/4885LMNA 2765/4885
US-20040198756-A1 Medicaments PIGO, PSAP, CD68 HTT 4369/4885ALDH1A1 1066/4885LMNA 3982/4885
US-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG HTT 3774/4885ALDH1A1 3099/4885LMNA 2488/4885
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO HTT 4369/4885ALDH1A1 1678/4885LMNA 4103/4885

“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.