SCHEMBL2877422

SCHEMBL2877422

Nc1ccc(/C=C2/SC(=O)NC2=O)cc1NCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.57
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
AKR1B1 P15121 1/20 0.48

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
SCHEMBL2877423 1.00 HPGD (0.57) HPGDMAOAMAOBPIM1PIM3
SCHEMBL6420710 0.82 HPGD (0.55) HPGDMAOAMAOBPIM1PIM3
SCHEMBL6420714 0.82 HPGD (0.55) HPGDMAOAMAOBPIM1PIM3
SCHEMBL2882644 0.81 PIM1 (0.52) HPGDMAOAMAOBPIM1PIM3
SCHEMBL2882646 0.81 PIM1 (0.52) HPGDMAOAMAOBPIM1PIM3
SCHEMBL2880397 0.79 PIM1 (0.55) HPGDMAOAMAOBPIM1PIM3
SCHEMBL2880421 0.79 PIM1 (0.55) HPGDMAOAMAOBPIM1PIM3
SCHEMBL16474048 0.77 HPGD (0.77) HPGD
SCHEMBL2877346 0.76 PIM1 (0.51) HPGDMAOAMAOBPIM1PIM3
SCHEMBL2877348 0.76 PIM1 (0.51) HPGDMAOAMAOBPIM1PIM3

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 HPGD 2011/4885MAOA 2983/4885MAOB 1382/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HPGD 3176/4885MAOA 3151/4885MAOB 2428/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HPGD 2135/4885MAOA 3069/4885MAOB 1601/4885

“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.