SCHEMBL12458014

SCHEMBL12458014

N#Cc1cncc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.63
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AR P10275 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2735788 0.83 MAOB (0.76) MAOBEGLN2LMNACYP1A2PTGS1
SCHEMBL8512404 0.83 MAOB (0.56) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL12466693 0.80 CHRNB2 (0.49) MAOBCHRNB2CHRNA4SIRT2
SCHEMBL538272 0.79 MAOB (0.69) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL30344886 0.79 MAOB (0.69) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL403151 0.78 MAOB (1.00) MAOBEGLN2LMNACYP1A2PTGS1
SCHEMBL6582384 0.77 CYP1A2 (0.56) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6821689 0.77 CYP19A1 (0.56) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL18002534 0.76 MAOB (0.65) MAOBEGLN2LMNACYP1A2PTGS1
SCHEMBL214243 0.76 MAOB (0.65) MAOBEGLN2LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023059582-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 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
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-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 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
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
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 CN 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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 (6 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-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG MAOB 1315/4885CHRNB2 2399/4885CHRNA4 2906/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAOB 465/4885CHRNB2 4657/4885CHRNA4 4715/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAOB 409/4885CHRNB2 4610/4885CHRNA4 4659/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B MAOB 465/4885CHRNB2 4657/4885CHRNA4 4715/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAOB 465/4885CHRNB2 4657/4885CHRNA4 4715/4885
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG MAOB 1315/4885CHRNB2 2399/4885CHRNA4 2906/4885

“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.