SCHEMBL10090679

SCHEMBL10090679

NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.74
PTPN1 P18031 3/20 0.66
KCNK3 O14649 2/20 0.65
KCNK9 Q9NPC2 2/20 0.65
TRPV1 Q8NER1 1/20 0.62
PLAU P00749 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MIF P14174 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.58
PARP15 Q460N3 1/20 0.58
PARP10 Q53GL7 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.57

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
SCHEMBL4004339 0.92 KCNK3 (0.76) PARP1KCNK3KCNK9PLAUKMT2A
SCHEMBL14075235 0.88 PARP1 (0.78) PARP1PTPN1KCNK3KCNK9TRPV1
SCHEMBL10090723 0.86 PARP1 (0.76) PARP1PTPN1KCNK3KCNK9TRPV1
SCHEMBL6454019 0.86 KMT2A (0.78) PARP1PTPN1KCNK3KCNK9TRPV1
SCHEMBL28031075 0.86 KCNK3 (0.77) KCNK3KCNK9PLAUKMT2AMEN1
SCHEMBL28155028 0.84 KMT2A (0.61) PARP1KCNK3KCNK9PLAUKMT2A
SCHEMBL20227586 0.84 KCNK3 (0.79) PARP1PTPN1KCNK3KCNK9TRPV1
SCHEMBL19303149 0.83 KMT2A (0.59) PARP1KCNK3KCNK9KMT2AMEN1
SCHEMBL1337455 0.83 PTPN1 (0.67) PARP1PTPN1KCNK3KCNK9TRPV1
SCHEMBL10247929 0.83 ATR (0.57) PARP1KCNK3KCNK9PLAUKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 US disclosed
WO-2019195430-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UAB RESEARCH FOUNDATION (US) 2019-10-10 WO disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF PARP1 3844/4885PTPN1 1681/4885KCNK3 4488/4885
US-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA PARP1 3786/4885PTPN1 3784/4885KCNK3 4064/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF PARP1 3844/4885PTPN1 1681/4885KCNK3 4488/4885

“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.