SCHEMBL16401271

SCHEMBL16401271

COC(=O)c1c(CBr)nc2ccc(Cl)cc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.52
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
FABP5 Q01469 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR4A2 P43354 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17796016 0.90 KDM4E (0.42) PLA2G2AKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL17792396 0.89 PKM (0.51) PLA2G2ARXFP1NR4A2KDM4EMAPT
SCHEMBL16401156 0.88 PLA2G2A (0.50) PLA2G2AKDM4EMAPTTP53ALDH1A1
SCHEMBL16401148 0.87 KDM4E (0.53) PLA2G2ANR4A2KDM4EMAPTTP53
SCHEMBL16401389 0.84 MMP13 (0.40) PLA2G2AKDM4EL3MBTL1ALDH1A1
SCHEMBL16401325 0.84 TACR1 (0.43) PLA2G2AKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL16401866 0.81 PLA2G2A (0.67) PLA2G2AFABP3FABP4RXFP1NR4A2
SCHEMBL14917155 0.78 FABP3 (0.57) PLA2G2AFABP3FABP4FABP5RXFP1
SCHEMBL1367415 0.74 FABP4 (0.70) FABP3FABP4FABP5KDM4EL3MBTL1
SCHEMBL8574404 0.74 EGFR (0.55) PLA2G2ARXFP1NR4A2KDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-26 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-26 US disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
EP-3022205-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-05-25 EP disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 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 (4 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PLA2G2A 718/4885FABP3 3486/4885FABP4 4384/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A PLA2G2A 788/4885FABP3 3445/4885FABP4 4306/4885
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A PLA2G2A 788/4885FABP3 3445/4885FABP4 4306/4885
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PLA2G2A 718/4885FABP3 3486/4885FABP4 4384/4885

“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.