SCHEMBL867159

SCHEMBL867159

CCOC(=O)c1cnc2c(Br)cc(C#N)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
NMT1 P30419 3/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
NMT2 O60551 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL866612 0.87 KMT2A (0.50) PDE5AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16229844 0.87 NPC1 (0.50) PDE5AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL867544 0.84 PDE5A (0.43) PDE5AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL19783662 0.84 THRB (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10193529 0.79 KMT2A (0.41) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4992878 0.79 PDE5A (0.56) PDE5AKDM4EALDH1A1MAPTNMT1
SCHEMBL22734634 0.78 KMT2A (0.43) KDM4EHSD17B10MAPTPOLBKMT2A
SCHEMBL29440752 0.78 KMT2A (0.43) KDM4EHSD17B10MAPTPOLBKMT2A
SCHEMBL730189 0.77 MAPK1 (0.46) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3061001 0.77 KMT2A (0.50) KDM4EALDH1A1HSD17B10MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9422242-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-23 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
EP-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 EP disclosed
EP-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 EP disclosed
US-8697875-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-15 US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
EP-2379076-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2011-10-26 EP disclosed
WO-2010074783-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-07-01 WO disclosed
WO-2010074783-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-07-01 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-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885KDM4E 1362/4885ALDH1A1 2317/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885KDM4E 1362/4885ALDH1A1 2317/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885KDM4E 1362/4885ALDH1A1 2317/4885

“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.