SCHEMBL436444

SCHEMBL436444

O=C(O)c1cccc2c1ncc1occc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4A O75164 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
RAB9A P51151 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
PSMD14 O00487 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
MAOB P27338 1/20 0.36
PIN1 Q13526 1/20 0.36
KDM6B O15054 1/20 0.36
KDM6A O15550 1/20 0.36

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
SCHEMBL29634310 0.74 NR4A1 (0.56) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL269277 0.73 MAOB (0.49) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL10464801 0.72 HAVCR2 (0.50) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL9215710 0.72 PARP1 (0.42) KDM4EL3MBTL1NR4A1NR4A2NR4A3
SCHEMBL69905 0.72 KDM4E (0.74) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL15231477 0.70 XDH (0.36) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL30503378 0.70 CCR1 (0.53) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL8514154 0.70 ALDH1A1 (0.45) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL27891654 0.70 HAVCR2 (0.55) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL7691980 0.69 KDM4E (0.65) KDM4EL3MBTL1KDM4AEGLN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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 (2 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 KDM4E 1272/4885L3MBTL1 3630/4885KDM4A 1354/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 KDM4E 1272/4885L3MBTL1 3630/4885KDM4A 1354/4885

“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.