SCHEMBL1852687

SCHEMBL1852687

O=Cc1ccc2occ(Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.46
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 6/20 0.38
ALDH1A3 P47895 2/20 0.38
PTPN2 P17706 1/20 0.36
KIF11 P52732 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH3A1 P30838 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16684571 0.78 PTPN1 (0.46) PTPN1CYP2A6ALDH1A1PTPN2KIF11
SCHEMBL2883176 0.78 ALDH1A1 (0.46) PTPN1CYP2A6ALDH1A1ALDH1A3PTPN2
SCHEMBL28006934 0.74 PTPN1 (0.53) PTPN1ALDH1A1MAOAMAOBRAB9A
SCHEMBL30695267 0.74 PTPN1 (0.53) PTPN1ALDH1A1MAOAMAOBRAB9A
SCHEMBL16684604 0.74 CYP2A6 (0.42) PTPN1CYP2A6ALDH1A1PTPN2KIF11
SCHEMBL18235043 0.74 PTPN1 (0.47) PTPN1CYP2A6ALDH1A1PTPN2MAOA
SCHEMBL12999043 0.73 POLB (0.52) PTPN1CYP2A6ALDH1A1PTPN2KIF11
SCHEMBL2882150 0.72 CISD1 (0.58) MAOAMAOBRAB9ANPC1
SCHEMBL8715997 0.71 CYP2A6 (0.50) CYP2A6ALDH1A1KIF11KDM4EPTGS2
SCHEMBL23330765 0.71 PTPN1 (0.50) PTPN1ALDH1A1MAOAMAOBKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP 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
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-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-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 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
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 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
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (4 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 PTPN1 277/4885CYP2A6 1490/4885ALDH1A1 716/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PTPN1 4272/4885CYP2A6 4380/4885ALDH1A1 1935/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PTPN1 23/4885CYP2A6 2462/4885ALDH1A1 3733/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PTPN1 235/4885CYP2A6 1505/4885ALDH1A1 678/4885

“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.