SCHEMBL1506640

SCHEMBL1506640

N#Cc1cc2c(cc1I)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 14/20 0.42
NPSR1 Q6W5P4 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 5/20 0.41
ALOX15 P16050 3/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL29618318 1.00 KDM4E (0.42) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL28308270 0.84 KDM4E (0.48) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL3519553 0.75 GRIN2D (0.40) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL21763267 0.75 TTR (0.42) TSHR
SCHEMBL29618371 0.74 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL4974071 0.74 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL19931603 0.74 KDM4E (0.46) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL1506500 0.74 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL21212728 0.73 TTR (0.40) TSHR
SCHEMBL24517017 0.71 PRKCI (0.34) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
EP-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP KDM4E 2213/4885ALDH1A1 3603/4885NPSR1 3275/4885
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP KDM4E 2924/4885ALDH1A1 1674/4885NPSR1 4114/4885

“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.