SCHEMBL16401148

SCHEMBL16401148

COC(=O)c1c(CBr)nc2ccccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 8/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
PLA2G2A P14555 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
NR4A2 P43354 1/20 0.43
TP53 P04637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TACR1 P25103 1/20 0.41

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 0.87 PLA2G2A (0.52) KDM4EMAPTALDH1A1HPGDPLA2G2A
SCHEMBL17796016 0.84 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDPLA2G2A
SCHEMBL17792396 0.83 PKM (0.51) KDM4EKMT2AMAPTALDH1A1PLA2G2A
SCHEMBL16401156 0.82 PLA2G2A (0.50) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30681986 0.81 KDM4E (0.56) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5381896 0.81 KDM4E (0.56) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8569908 0.80 KDM4E (0.55) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30572427 0.80 MEN1 (0.71) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16401074 0.80 MEN1 (0.71) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16401325 0.79 TACR1 (0.43) KDM4EMAPTALDH1A1PLA2G2ATACR1

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 KDM4E 426/4885MEN1 3763/4885KMT2A 1442/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A KDM4E 328/4885MEN1 3414/4885KMT2A 1299/4885
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A KDM4E 328/4885MEN1 3414/4885KMT2A 1299/4885
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A KDM4E 426/4885MEN1 3763/4885KMT2A 1442/4885

“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.