SCHEMBL2931695

SCHEMBL2931695

COCCC=Cc1cc(Br)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TNFRSF1A P19438 1/20 0.47
MAOB P27338 1/20 0.45
LMNA P02545 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
AMY1A P0DUB6 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2931694 1.00 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL8000126 0.83 ACHE (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2808235 0.83 HPGD (0.34) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL2808237 0.83 HPGD (0.34) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL10050048 0.82 MAPT (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL21175786 0.81 HPGD (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL21175784 0.81 HPGD (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL11128981 0.78 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL11128980 0.78 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A
SCHEMBL13572240 0.74 TNFRSF1A (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD MAPT 1893/4885KDM4E 1562/4885SMN1; SMN2 2748/4885
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 MAPT 4202/4885KDM4E 1612/4885SMN1; SMN2 3172/4885

“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.