SCHEMBL4148261

SCHEMBL4148261

OB(O)c1ccc2coccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
IMPDH2 P12268 2/20 0.35
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PELI1 Q96FA3 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.31
CSNK2A1 P68400 1/20 0.31
TOP2A P11388 1/20 0.31
PTGER2 P43116 1/20 0.30
MMP2 P08253 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 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
SCHEMBL3296117 0.84 IMPDH2 (0.44) ERN1IMPDH2PELI1MEN1CYP1A2
SCHEMBL28412978 0.73 HRH4 (0.39) ERN1IMPDH2PELI1MEN1CYP1A2
SCHEMBL7696358 0.71 IMPDH2 (0.38) ERN1IMPDH2LPLLIPGPELI1
SCHEMBL29204427 0.68 CA2 (0.52) ERN1LPLLIPGTOP2A
SCHEMBL28501698 0.68 LPL (0.35) ERN1IMPDH2LPLLIPGPELI1
SCHEMBL27752792 0.67 IMPDH2 (0.36) ERN1IMPDH2LPLLIPGPELI1
SCHEMBL28144164 0.67 IMPDH2 (0.36) ERN1IMPDH2LPLLIPGPELI1
SCHEMBL2008440 0.67 HDAC2 (0.37) ERN1IMPDH2LPLLIPGPELI1
SCHEMBL6599383 0.67 IMPDH2 (0.37) ERN1IMPDH2PELI1CYP1A2CYP3A4
SCHEMBL96128 0.67 ERN1 (0.51) ERN1IMPDH2PELI1MEN1CYP1A2

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-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
EP-1888569-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 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 (2 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-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 ERN1 2445/4885IMPDH2 884/4885LPL 908/4885
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L ERN1 246/4885IMPDH2 2665/4885LPL 1506/4885

“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.