SCHEMBL1700934

SCHEMBL1700934

C=CC(=O)Nc1ccccc1.OBO

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.88
F13A1 P00488 1/20 0.58
LMNA P02545 1/20 0.58
TGM1 P22735 1/20 0.58
TGM3 Q08188 1/20 0.58
CYP1A2 P05177 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EGFR P00533 3/20 0.52
MAOB P27338 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MAOA P21397 1/20 0.52
ITK Q08881 1/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL81209 0.94 TGM2 (1.00) TGM2F13A1LMNATGM1TGM3
SCHEMBL28240522 0.92 TGM2 (0.96) TGM2F13A1LMNATGM1TGM3
SCHEMBL30211836 0.92 TGM2 (0.96) TGM2F13A1LMNATGM1TGM3
Dimethylamine SCHEMBL1263117 0.88 TGM2 (0.88) TGM2F13A1LMNATGM1TGM3
SCHEMBL19501652 0.86 TGM2 (0.85) TGM2F13A1LMNATGM1TGM3
SCHEMBL261812 0.86 TGM2 (0.85) TGM2F13A1LMNATGM1TGM3
Sulfuric Acid SCHEMBL10783007 0.86 TGM2 (0.85) TGM2F13A1LMNATGM1TGM3
SCHEMBL21247525 0.85 TGM2 (0.81) TGM2F13A1LMNATGM1TGM3
Aniline SCHEMBL28025728 0.85 TGM2 (0.81) TGM2F13A1LMNATGM1TGM3
Styrene SCHEMBL17534942 0.85 TGM2 (0.81) TGM2F13A1LMNATGM1TGM3

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
EP-2582741-B1 BORONATED POLYMERS UNIV TWENTE (NL) 2016-07-27 EP disclosed
US-20130157926-A1 BORONATED POLYMERS UNIVERSITEIT TWENTE (NL) 2013-06-20 US disclosed
EP-2582741-A2 BORONATED POLYMERS Universiteit Twente (NL) 2013-04-24 EP disclosed
WO-2011159161-A2 BORONATED POLYMERS UNIVERSITEIT TWENTE (NL) 2011-12-22 WO disclosed
US-20100029545-A1 BORONIC ACID-CONTAINING BLOCK COPOLYMERS FOR CONTROLLED DRUG DELIVERY SOUTHERN METHODIST UNIVERSITY 2010-02-04 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 (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-20130157926-A1 BORONATED POLYMERS PHB1, ABCB11, PHB2 TGM2 4165/4885F13A1 1151/4885LMNA 3505/4885

“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.