SCHEMBL9928498

SCHEMBL9928498

CC(C)(C)c1nccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
NCF1 P14598 1/20 0.39
CCR4 P51679 1/20 0.39
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24657656 0.76 GRM4 (0.35) MAPTKDM4ECYP3A4TSHRCYP2C19
SCHEMBL24995418 0.74 CCR4 (0.42) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL30360262 0.73 CYP3A4 (0.64) MAPTKDM4ECYP3A4KMT2ALMNA
SCHEMBL762186 0.73 CYP3A4 (0.64) MAPTKDM4ECYP3A4KMT2ALMNA
SCHEMBL803121 0.73 PI4KA (0.50) LMNAHTTTSHRNPC1L3MBTL1
SCHEMBL30360261 0.73 CYP3A4 (0.64) MAPTKDM4ECYP3A4KMT2ALMNA
SCHEMBL24656745 0.73 ALDH1A1 (0.37) KDM4ECYP3A4KMT2ALMNANCF1
SCHEMBL24655017 0.73 EGFR (0.34)
SCHEMBL8471074 0.72 MAPT (0.58) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL30505920 0.72 MAPT (0.58) MAPTKDM4ECYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-20210308119-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING CCR9 INHIBITOR AND ANTI-IL-23 BLOCKING ANTIBODIES CHEMOCENTRYX, INC. 2021-10-07 US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed
US-20160095921-A1 Combinations and Methods for Treating Inflammatory Bowel Disease Using a Combination Therapy of Small Molecule Inhibitors of C-C Chemokine Receptor 9 (CCR9) and Anti-alpha4beta7 Integrin Blocking Antibodies CHEMOCENTRYX, INC. 2016-04-07 US disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
WO-2012118945-A2 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-07 WO disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 WO disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MAPT 2516/4885KDM4E 2437/4885CYP3A4 1414/4885
US-20210308119-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING CCR9 INHIBITOR AND ANTI-IL-23 BLOCKING ANTIBODIES CCR9, CCR3, CCR1 MAPT 2261/4885KDM4E 3262/4885CYP3A4 4513/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MAPT 2188/4885KDM4E 2800/4885CYP3A4 1831/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MAPT 2516/4885KDM4E 2437/4885CYP3A4 1414/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885CYP3A4 273/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885CYP3A4 273/4885
US-20160095921-A1 Combinations and Methods for Treating Inflammatory Bowel Disease Using a Combination Therapy of Small Molecule Inhibitors of C-C Chemokine Receptor 9 (CCR9) and Anti-alpha4beta7 Integrin Blocking Antibodies CCR9, CCR4, ITGB7 MAPT 3233/4885KDM4E 921/4885CYP3A4 2507/4885
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 MAPT 4404/4885KDM4E 2913/4885CYP3A4 4122/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MAPT 2516/4885KDM4E 2437/4885CYP3A4 1414/4885

“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.