SCHEMBL3833658

SCHEMBL3833658

NC(=O)/C(Br)=C(/Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
BLM P54132 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
PARP1 P09874 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.47
CES1 P23141 5/20 0.44
CES2 O00748 4/20 0.44
ALDH1A1 P00352 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL3833662 1.00 TDP1 (0.52) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL8104960 0.81 CES1 (0.48) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL8104955 0.81 CES1 (0.48) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL1053736 0.81 CES1 (0.48) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL981687 0.79 CES2 (0.59) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL5968341 0.74 CES1 (0.47) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL297692 0.74 CES1 (0.47) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL19243152 0.73 ALDH1A1 (0.48) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL3833664 0.73 TDP1 (0.52) TDP1CYP2C19TSHRCYP3A4MAPT
Benzamide SCHEMBL28085829 0.72 PARP1 (0.94) TDP1CYP2C19TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614188-B2 Inhibiting collagen-induced platelet aggregation and activation with peptide variants UNIVERSITY OF MASSACHUSETTS (US) 2013-12-24 US disclosed
US-20130040887-A1 Inhibiting Collagen-Induced Platelet Aggregation and Activation with Peptide Variants UNIVERSITY OF MASSACHUSETTS 2013-02-14 US disclosed
US-8278271-B2 Inhibiting collagen-induced platelet aggregation and activation with peptide variants UNIVERSITY OF MASSACHUSETTS (US) 2012-10-02 US disclosed
EP-2101802-A2 INHIBITING COLLAGEN-INDUCED PLATELET AGGREGATION AND ACTIVATION WITH PEPTIDE VARIANTS UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2009-09-23 EP disclosed
US-20090075899-A1 Inhibiting collagen-induced platelet aggregation and activation with peptide variants UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL 2009-03-19 US disclosed
WO-2008076275-A2 INHIBITING COLLAGEN-INDUCED PLATELET AGGREGATION AND ACTIVATION WITH PEPTIDE VARIANTS UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2008-06-26 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 (1 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-20090075899-A1 Inhibiting collagen-induced platelet aggregation and activation with peptide variants GP6, SELPLG, F13B TDP1 3481/4885CYP2C19 1429/4885TSHR 1074/4885

“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.