SCHEMBL718901

SCHEMBL718901

COc1ccc(-n2cc(C=O)c(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NLRP3 Q96P20 1/20 0.60
ADORA3 P0DMS8 5/20 0.46
ALDH1A1 P00352 2/20 0.45
CNR1 P21554 3/20 0.44
PTGS2 P35354 2/20 0.43
CNR2 P34972 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GPR35 Q9HC97 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPKAPK2 P49137 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
SCHEMBL717781 0.88 MEN1 (0.50) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL718967 0.84 MEN1 (0.53) MEN1KMT2ANLRP3ADORA3ALDH1A1
SCHEMBL716051 0.82 POLB (0.44) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL718292 0.81 PTGS2 (0.45) MEN1KMT2ANLRP3ALDH1A1CNR1
SCHEMBL21271864 0.81 PTGS2 (0.45) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL28716311 0.81 PTGS2 (0.65) MEN1KMT2ANLRP3ALDH1A1CNR1
SCHEMBL719988 0.81 MEN1 (0.56) MEN1KMT2ANLRP3ADORA3ALDH1A1
SCHEMBL718659 0.81 MEN1 (0.56) MEN1KMT2ANLRP3ADORA3ALDH1A1
SCHEMBL23392554 0.80 KMT2A (0.79) MEN1KMT2ANLRP3ALDH1A1CNR1
SCHEMBL719535 0.80 PTGS2 (0.63) MEN1KMT2ANLRP3ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12138321-B2 Half-curcuminoids as amyloid-β PET imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2024-11-12 US disclosed
US-12102695-B2 Half-curcuminoids as amyloid-beta pet imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2024-10-01 US disclosed
US-20220001035-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-01-06 US disclosed
US-20220001036-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-01-06 US disclosed
US-11135318-B2 Half-curcuminoids as amyloid-beta PET imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2021-10-05 US disclosed
US-20190255198-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents THE GENERAL HOSPITAL CORPORATION 2019-08-22 US disclosed
WO-2018005732-A1 HALF-CURCUMINOIDS AS AMYLOID-BETA PET IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2018-01-04 WO disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 EP disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (9 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885
US-20220001036-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents APP, PSEN1, BACE1 MEN1 246/4885KMT2A 3743/4885NLRP3 1455/4885
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 MEN1 833/4885KMT2A 1696/4885NLRP3 2183/4885
US-12102695-B2 Half-curcuminoids as amyloid-beta pet imaging agents APP, PSEN1, BACE1 MEN1 246/4885KMT2A 3743/4885NLRP3 1455/4885
US-20220001035-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents APP, PSEN1, BACE1 MEN1 246/4885KMT2A 3743/4885NLRP3 1455/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885
US-20190255198-A1 Half-Curcuminoids as Amyloid-Beta PET Imaging Agents APP, PSEN1, BACE1 MEN1 246/4885KMT2A 3743/4885NLRP3 1455/4885
US-12138321-B2 Half-curcuminoids as amyloid-β PET imaging agents APP, PSEN1, BACE1 MEN1 257/4885KMT2A 3785/4885NLRP3 1405/4885
US-11135318-B2 Half-curcuminoids as amyloid-beta PET imaging agents APP, PSEN1, BACE1 MEN1 246/4885KMT2A 3743/4885NLRP3 1455/4885

“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.