SCHEMBL3350951

SCHEMBL3350951

CC(C)(C)OC(=O)/C=C/c1cncc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.38
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B3 P37058 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
NR1H4 Q96RI1 3/20 0.34

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
SCHEMBL3350956 1.00 PADI4 (0.38) PADI4ESR1POLBHCAR2CYP1A2
SCHEMBL745342 0.83 KDM4E (0.50) PADI4POLBHCAR2CYP1A2CYP2C19
SCHEMBL745343 0.83 KDM4E (0.50) PADI4POLBHCAR2CYP1A2CYP2C19
SCHEMBL29985733 0.82 PADI4 (0.38) PADI4ESR1POLBHCAR2SMN1; SMN2
SCHEMBL4172750 0.80 KMT2A (0.44) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL4172746 0.80 KMT2A (0.44) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL1368515 0.80 ESR1 (0.38) PADI4ESR1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1368514 0.80 ESR1 (0.38) PADI4ESR1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7293453 0.79 CA12 (0.51) POLBCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7293458 0.79 CA12 (0.51) POLBCYP1A2CYP3A4CYP2C19SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
EP-2744802-B1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2017-01-04 EP disclosed
EP-2744802-B1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2017-01-04 EP disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2016-05-19 US disclosed
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2016-05-19 US disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
EP-2744802-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI Piramal Imaging SA (CH) 2014-06-25 EP disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PADI4 2748/4885ESR1 3446/4885POLB 1098/4885
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG PADI4 741/4885ESR1 2368/4885POLB 3349/4885
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG PADI4 741/4885ESR1 2368/4885POLB 3349/4885

“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.