SCHEMBL2882996

SCHEMBL2882996

COC(=O)c1ccc2nc(C3CCNCC3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
HPGDS O60760 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PLAT P00750 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
PDE4D Q08499 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL64188 0.79 PLAT (0.43) HPGDSPLATALDH1A1KDM4EL3MBTL1
SCHEMBL3502418 0.74 HTT (0.57) HTTALOX15NPC1RAB9ACSNK2A1
SCHEMBL2882281 0.74 CDK7 (0.34) NPC1RAB9AALDH1A1
SCHEMBL6385525 0.72 HTT (0.56) HTTALOX15NPC1RAB9ACSNK2A1
SCHEMBL30159602 0.72 HTT (0.56) HTTALOX15CSNK2A1ALDH1A1KDM4E
SCHEMBL3502450 0.72 HTT (0.56) HTTALOX15CSNK2A1ALDH1A1KDM4E
SCHEMBL27526929 0.72 NPY5R (0.50) HTTNPC1RAB9APLATALDH1A1
SCHEMBL19720917 0.72 TLR9 (0.45) HTTNPC1RAB9APLATALDH1A1
SCHEMBL6382348 0.71 HTT (0.55) HTTALOX15CSNK2A1ALDH1A1KDM4E
SCHEMBL2636813 0.71 MAPK1 (0.41) PLATKDM4EL3MBTL1HTR2C

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
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-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
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (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 (3 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 HTT 1649/4885ALOX15 534/4885HPGDS 1391/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HTT 3887/4885ALOX15 4623/4885HPGDS 3333/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HTT 1583/4885ALOX15 609/4885HPGDS 1476/4885

“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.