SCHEMBL2882924

SCHEMBL2882924

C#CCNc1cc(C=C2SC(=O)NC2=O)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.67
MAOB P27338 4/20 0.67
AKR1B1 P15121 4/20 0.51
PTGS2 P35354 1/20 0.51
PIM1 P11309 11/20 0.48
PIM2 Q9P1W9 11/20 0.48
IGF1R P08069 2/20 0.48
HPGD P15428 1/20 0.48
PIM3 Q86V86 2/20 0.47
PDE4B Q07343 1/20 0.47
GSK3B P49841 1/20 0.45
CISD1 Q9NZ45 2/20 0.45

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
SCHEMBL2880421 0.86 PIM1 (0.55) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2880397 0.86 PIM1 (0.55) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2882644 0.84 PIM1 (0.52) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2882646 0.84 PIM1 (0.52) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2877346 0.83 PIM1 (0.51) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2877348 0.83 PIM1 (0.51) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL6420710 0.77 HPGD (0.55) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL6420714 0.77 HPGD (0.55) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2877422 0.76 HPGD (0.57) MAOAMAOBAKR1B1PIM1PIM2
SCHEMBL2877423 0.76 HPGD (0.57) MAOAMAOBAKR1B1PIM1PIM2

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 4 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

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 MAOA 2983/4885MAOB 1382/4885AKR1B1 268/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 MAOA 3151/4885MAOB 2428/4885AKR1B1 1179/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B MAOA 3069/4885MAOB 1601/4885AKR1B1 264/4885

“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.