SCHEMBL2005190

SCHEMBL2005190

[O]c1cccc2oncc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
MAOB P27338 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL2005193 0.76 BRD4 (0.42) BRD4SMN1; SMN2HIF1ACA12CA1
SCHEMBL20871562 0.74 BRD4 (0.41) BRD4
SCHEMBL2736863 0.74 CYP3A4 (0.44) BRD4SMN1; SMN2HIF1ALMNA
SCHEMBL9910068 0.74 BRD4 (0.42) BRD4HIF1ACA1CA2LMNA
SCHEMBL7021749 0.74 ERN1 (0.39) BRD4TP53SMN1; SMN2CA1CA2
SCHEMBL24399382 0.74 BRD4 (0.42) BRD4SMN1; SMN2CA12CA1CA2
SCHEMBL2003884 0.71 TP53 (0.38) BRD4TP53SMN1; SMN2HIF1A
SCHEMBL2003887 0.71 ALDH1A1 (0.44) BRD4TP53SMN1; SMN2
SCHEMBL1998737 0.70 PABPC1 (0.40) BRD4TP53SMN1; SMN2HIF1A
SCHEMBL154652 0.70 MAOA (0.47) TP53SMN1; SMN2HIF1ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 US disclosed
EP-2878594-A1 DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2015-06-03 EP disclosed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 BRD4 1012/4885TP53 4494/4885SMN1; SMN2 3985/4885
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 BRD4 1327/4885TP53 3989/4885SMN1; SMN2 3093/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 BRD4 505/4885TP53 2420/4885SMN1; SMN2 3325/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 BRD4 154/4885TP53 4028/4885SMN1; SMN2 2278/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 BRD4 992/4885TP53 3079/4885SMN1; SMN2 2656/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 BRD4 1022/4885TP53 4309/4885SMN1; SMN2 3573/4885

“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.