SCHEMBL2882113

SCHEMBL2882113

O=C1NC(=O)/C(=C\c2ccc3ncn(CCc4ccc(Oc5ccccc5)cc4)c3c2)S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.56
AKR1B1 P15121 2/20 0.56
PTPN1 P18031 2/20 0.49
MAOB P27338 2/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.49
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
XDH P47989 1/20 0.47
PIK3CD O00329 1/20 0.47
NPC1 O15118 1/20 0.47
CSNK2A2 P19784 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL2882116 1.00 HPGD (0.56) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL2885072 0.88 AKR1B1 (0.50) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL2885069 0.88 AKR1B1 (0.50) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL2877667 0.86 HPGD (0.52) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL2877670 0.86 HPGD (0.52) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL6422799 0.86 HPGD (0.52) HPGDAKR1B1PTPN1MAOBPOLB
SCHEMBL2877339 0.85 HPGD (0.57) HPGDMGAMGAASIMGAM2
SCHEMBL2877338 0.85 HPGD (0.57) HPGDMGAMGAASIMGAM2
SCHEMBL2882174 0.83 PIM1 (0.55) PTPN1MAOBMGAMGAASI
SCHEMBL2882172 0.83 PIM1 (0.55) PTPN1MAOBMGAMGAASI

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 9 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 claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
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-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 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 (5 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 2011/4885AKR1B1 268/4885PTPN1 277/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 HPGD 1757/4885AKR1B1 1514/4885PTPN1 436/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HPGD 3176/4885AKR1B1 1179/4885PTPN1 4272/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 HPGD 3709/4885AKR1B1 1323/4885PTPN1 639/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HPGD 2135/4885AKR1B1 264/4885PTPN1 235/4885

“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.