SCHEMBL9939815

SCHEMBL9939815

O=S(=O)(NCc1ccc(Cl)c(Nc2nc3ccc(N4CCCC4)cc3[nH]2)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
KCNH2 Q12809 2/20 0.37
ENPP2 Q13822 4/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
IDH2 P48735 1/20 0.35
BRD4 O60885 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GRIA2 P42262 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9940040 0.93 ENPP2 (0.36) KDM1AENPP2PDE3BPDE3AIDH2
SCHEMBL9939817 0.81 KCNH2 (0.43) KDM1AKCNH2PDE3BPDE3ABRD4
SCHEMBL9939849 0.77 DRD2 (0.42) KDM1AKCNH2ENPP2BRD4
SCHEMBL9940041 0.76 KDM1A (0.34) KDM1AIDH2MAPTGAALMNA
SCHEMBL9939777 0.76 LMNA (0.35) KDM1AMAPTGAAHTTLMNA
SCHEMBL9939890 0.74 DRD2 (0.41) KDM1AKCNH2ENPP2BRD4MAPT
SCHEMBL9941944 0.74 SMO (0.44) ENPP2MAPTSMN1; SMN2MAPK1HTT
SCHEMBL9939974 0.74 PTGES (0.43) ENPP2
SCHEMBL9899450 0.73 MAP2K7 (0.41) KCNH2PDE3BPDE3AMAPTSMN1; SMN2
SCHEMBL14238584 0.72 HPGD (0.41) ENPP2MAPTSMN1; SMN2MAPK1HTT

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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KDM1A 1469/4885KCNH2 3874/4885ENPP2 610/4885

“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.