SCHEMBL6468586

SCHEMBL6468586

Cc1cccc(C)c1-c1c(N)ccc2c1C(=O)NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 2/20 0.50
RGS12 O14924 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
APEX1 P27695 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
MTOR P42345 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50
GNAI1 P63096 1/20 0.50
HBB P68871 1/20 0.50

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
SCHEMBL5171611 0.83 PARP1 (0.46) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL29485716 0.83 GSK3B (0.52) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL112742 0.83 GSK3B (0.52) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL30364460 0.81 GSK3B (0.50) PARP1MEN1KMT2AUSP2RGS12
Hydrochloric Acid SCHEMBL29864773 0.81 GSK3B (0.50) PARP1MEN1KMT2AUSP2RGS12
Hydrochloric Acid SCHEMBL7736928 0.81 GSK3B (0.50) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL29025704 0.81 GSK3B (0.50) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL2818286 0.80 PARP1 (0.45) PARP1MEN1KMT2AUSP2RGS12
Phthalimide SCHEMBL8855990 0.79 GSK3B (0.60) PARP1MEN1KMT2AUSP2RGS12
SCHEMBL29372946 0.79 PARP1 (0.53) PARP1MEN1KMT2AUSP2RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769715-A2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-08-27 EP disclosed
US-8410053-B2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-04-02 US disclosed
US-20120232004-A1 Methods for Treating Autoimmune Disorders, and Reagents Related Thereto THE BRIGHAM AND WOMEN'S HOSPITAL (US) 2012-09-13 US disclosed
US-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor BRIGHAM AND WOMEN"S HOSPITAL (US) 2005-03-31 US disclosed
EP-1487471-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS AND REAGENTS RELATED THERETO Trustees of Tufts College (US) 2004-12-22 EP disclosed
WO-2003045228-A9 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TUFTS COLLEGE (US) 2004-09-16 WO disclosed
WO-2003045228-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2003-06-05 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 (2 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-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor DNPEP, PREP, VIP PARP1 2015/4885MEN1 2391/4885KMT2A 4683/4885
US-20120232004-A1 Methods for Treating Autoimmune Disorders, and Reagents Related Thereto TNF, HLA-DRB1, IAPP PARP1 3349/4885MEN1 1540/4885KMT2A 3762/4885

“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.