SCHEMBL229716

SCHEMBL229716

COc1cc(-c2cc3ccccc3[nH]2)[nH]c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.59
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 4/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
CYP2A6 P11509 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL4364501 0.85 EZH2 (0.49) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL14873891 0.78 RIPK1 (0.55)
SCHEMBL5559572 0.76 KDM4E (0.61) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL7824283 0.76 EZH2 (0.50) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL7824287 0.76 EZH2 (0.50) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL229717 0.75 PDGFRB (0.46) MAPTCYP2A6TUBB4ATUBBTUBA3C
SCHEMBL3878366 0.74 ALDH1A1 (0.40) EZH2KDM4EMAPTALDH1A1HPGD
SCHEMBL7837215 0.73 EZH2 (0.47) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL7824833 0.73 EZH2 (0.52) EZH2RAB9AKDM4EMAPTMEN1
SCHEMBL7837218 0.73 EZH2 (0.47) EZH2RAB9AKDM4EMAPTMEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP disclosed
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP disclosed
US-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-03-27 US disclosed
US-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-03-27 US disclosed
EP-1853255-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS Gemin X Biotechnologies Inc. (CA) 2007-11-14 EP disclosed
WO-2006089397-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-08-31 WO disclosed
EP-1644363-A1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES Gemin X Biotechnologies Inc. (CA) 2006-04-12 EP disclosed
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2006-02-16 US disclosed
WO-2005117908-A2 TRIHETEROCYCLIC COMPOUNDS COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES, INC. (CA) 2005-12-15 WO disclosed
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2005-12-01 US disclosed
US-20050014802-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2005-01-20 US disclosed
WO-2004106328-A1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES INC. (CA) 2004-12-09 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-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds HCAR2, TNF, CD38 EZH2 952/4885RAB9A 2964/4885KDM4E 1978/4885
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 EZH2 1995/4885RAB9A 2502/4885KDM4E 3856/4885
US-20050014802-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 EZH2 1995/4885RAB9A 2502/4885KDM4E 3856/4885
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 EZH2 1995/4885RAB9A 2502/4885KDM4E 3856/4885

“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.