SCHEMBL4860623

SCHEMBL4860623

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.51
CCR2 P41597 1/20 0.47
CYP2D6 P10635 1/20 0.46
POLB P06746 2/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
GAA P10253 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL13677410 0.86 KDM4E (0.54) KDM4EALDH1A1KMT2AATMCYP2D6
SCHEMBL18324710 0.81 KDM4E (0.57) KDM4EALDH1A1KMT2AATMPOLB
SCHEMBL13893815 0.80 KMT2A (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL18324980 0.79 KDM4E (0.56) KDM4EALDH1A1ATMPOLBBRD4
SCHEMBL18324737 0.78 KDM4E (0.65) KDM4EALDH1A1ATMCYP2D6POLB
SCHEMBL28800093 0.76 KDM4E (0.69) KDM4EALDH1A1ADRA1D
SCHEMBL18324702 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MAPTATMPOLB
SCHEMBL18324898 0.74 SMN1; SMN2 (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL18324801 0.74 KDM4E (0.61) KDM4EALDH1A1KMT2AATMCYP2D6
SCHEMBL18325013 0.74 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US 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 (1 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 KDM4E 1917/4885ALDH1A1 755/4885MEN1 4833/4885

“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.