SCHEMBL2882472

SCHEMBL2882472

O=C1NC(=O)C(=Cc2ccc3ncnc(N4CCOCC4)c3c2)S1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CD O00329 3/20 0.51
CSNK2A2 P19784 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 2/20 0.51
PIK3CG P48736 2/20 0.51
CLK1 P49759 2/20 0.51
DYRK1A Q13627 2/20 0.51
MAOB P27338 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK2 Q92630 1/20 0.51
CISD1 Q9NZ45 1/20 0.51

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
SCHEMBL2882471 1.00 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2884702 0.90 CISD1 (0.54) NPC1RAB9APIK3CDCSNK2A2PIK3CA
SCHEMBL2882270 0.89 CISD1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2882271 0.89 CISD1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2882653 0.87 HTT (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2882656 0.87 HTT (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2880264 0.85 PIK3CD (0.53) NPC1RAB9APIK3CDCSNK2A2PIK3CA
SCHEMBL2880263 0.85 PIK3CD (0.53) NPC1RAB9APIK3CDCSNK2A2PIK3CA
SCHEMBL2880773 0.85 CISD1 (0.52) NPC1RAB9AMAPTSMN1; SMN2PIK3CD
SCHEMBL2880770 0.85 CISD1 (0.52) NPC1RAB9AMAPTSMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 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 (5 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX MEN1 1495/4885KMT2A 3006/4885NPC1 4590/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 MEN1 2366/4885KMT2A 1230/4885NPC1 4850/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MEN1 3768/4885KMT2A 2969/4885NPC1 1190/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 MEN1 1758/4885KMT2A 603/4885NPC1 3900/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MEN1 1543/4885KMT2A 3104/4885NPC1 4574/4885

“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.