SCHEMBL2884574

SCHEMBL2884574

Cn1nc2ccc(C=O)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
ALDH1A1 P00352 9/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
PTK2B Q14289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A3 P47895 3/20 0.36
PTGER4 P35408 2/20 0.36
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
ALDH5A1 P51649 1/20 0.35

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
SCHEMBL28499151 0.85 KIF11 (0.39) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL541721 0.79 ALDH1A3 (0.40) CYP2A6ALDH1A1TSHRMEN1KMT2A
SCHEMBL15823646 0.74 KDM4E (0.33) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2880296 0.72 SLC9A1 (0.48) CYP2A6HPGDMAPTRAB9ANPC1
SCHEMBL21604627 0.72 ALDH1A1 (0.56) CYP2A6ALDH1A1TSHRMEN1KMT2A
SCHEMBL23497969 0.72 CYP2A6 (0.46) CYP2A6ALDH1A1TSHRMEN1KMT2A
SCHEMBL1525887 0.72 HCAR3 (0.54) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3411245 0.72 CYP2A6 (0.50) CYP2A6ALDH1A1MEN1KMT2AMAPT
SCHEMBL541566 0.72 HDAC1 (0.58) CYP2A6ALDH1A1KMT2AKDM4EHPGD
SCHEMBL15652691 0.71 ALDH1A1 (0.43) CYP2A6ALDH1A1TSHRMEN1KMT2A

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 14 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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN 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 CYP2A6 1490/4885ALDH1A1 716/4885TSHR 2831/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 CYP2A6 4380/4885ALDH1A1 1935/4885TSHR 4708/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CYP2A6 1505/4885ALDH1A1 678/4885TSHR 2707/4885

“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.