SCHEMBL2882583

SCHEMBL2882583

CCOC(=O)C1CCCN(c2ncnc3ccc(C=O)cc23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
NPSR1 Q6W5P4 6/20 0.55
MAPK1 P28482 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 3/20 0.49
SHMT2 P34897 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL31065690 0.88 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2882110 0.88 MAPK1 (0.67) ALDH1A1MAPTCYP1A2CYP2C9MAPK1
SCHEMBL29283867 0.87 ALDH1A1 (0.57) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29283864 0.87 ALDH1A1 (0.57) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31065676 0.86 ALDH1A1 (0.67) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2885173 0.85 MEN1 (0.53) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2885170 0.85 MEN1 (0.53) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31065683 0.84 NPSR1 (0.68) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31065681 0.81 ALDH1A1 (0.57) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31065689 0.81 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9

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 ALDH1A1 716/4885MAPT 3408/4885CYP1A2 651/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ALDH1A1 1935/4885MAPT 4185/4885CYP1A2 3293/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ALDH1A1 678/4885MAPT 3523/4885CYP1A2 620/4885

“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.