SCHEMBL17796016

SCHEMBL17796016

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PLA2G2A P14555 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ESRRB O95718 1/20 0.39
ESRRA P11474 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
SCHEMBL16401271 0.90 PLA2G2A (0.52) KDM4EPLA2G2AALDH1A1MAPTL3MBTL1
SCHEMBL17792396 0.89 PKM (0.51) KDM4EPLA2G2AALDH1A1PKMMAPT
SCHEMBL16401156 0.88 PLA2G2A (0.50) KDM4EPLA2G2AALDH1A1MAPTGAA
SCHEMBL16401389 0.84 MMP13 (0.40) KDM4EPLA2G2AALDH1A1L3MBTL1HSP90AA1
SCHEMBL16401325 0.84 TACR1 (0.43) KDM4EPLA2G2AALDH1A1MAPTL3MBTL1
SCHEMBL16401148 0.84 KDM4E (0.53) KDM4EPLA2G2AALDH1A1MAPTHPGD
SCHEMBL17796019 0.81 PLA2G2A (0.53) KDM4EPLA2G2AALDH1A1PKMMAPT
SCHEMBL10091835 0.76 CA12 (0.49) KDM4EPLA2G2AALDH1A1PKMMAPT
SCHEMBL17054799 0.71 KDM4E (0.42) KDM4EALDH1A1GAAL3MBTL1HTT
SCHEMBL16401866 0.70 PLA2G2A (0.67) KDM4EPLA2G2AALDH1A1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 426/4885PLA2G2A 718/4885ALDH1A1 1375/4885

“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.