SCHEMBL16431007

SCHEMBL16431007

COc1ccc(-c2cccnc2C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
MAOB P27338 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
PTGS1 P23219 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
SCHEMBL16385280 0.84 PTGS2 (0.49) MAPTKDM4EALDH1A1MKNK1MKNK2
SCHEMBL8184854 0.75 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12326165 0.74 MAPT (0.56) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29697785 0.74 MAPT (0.56) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL8390535 0.74 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL15730178 0.74 CYP11B2 (0.56) NPC1RAB9APTGS2
SCHEMBL8387066 0.74 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4095298 0.74 CLK4 (0.58) KDM4EALDH1A1HPGDMKNK1MKNK2
SCHEMBL17877755 0.74 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL16432929 0.73 EGFR (0.37) MKNK1MKNK2PDE2APDE10APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027619-B1 BICYCLIC UREAS AND THIADIAZOLIDINE-1,1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
EP-3027619-B1 BICYCLIC UREAS AND THIADIAZOLIDINE-1,1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
US-9981970-B2 Bicyclic ureas and thiadiazolidine-1, 1-dioxides as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-29 US disclosed
US-9981970-B2 Bicyclic ureas and thiadiazolidine-1, 1-dioxides as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-29 US disclosed
US-20160185784-A1 BICYCLIC UREAS AND THIADIAZOLIDINE-1, 1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME LLC 2016-06-30 US disclosed
US-20160185784-A1 BICYCLIC UREAS AND THIADIAZOLIDINE-1, 1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME LLC 2016-06-30 US disclosed
US-20160185784-A1 BICYCLIC UREAS AND THIADIAZOLIDINE-1, 1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME LLC 2016-06-30 US disclosed
EP-3027619-A2 BICYCLIC UREAS AND THIADIAZOLIDINE-1,1-DIOXIDES AS CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-06-08 EP disclosed
WO-2015017302-A2 BICYCLIC UREAS AND THIADIAZOLIDINE-1,1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
WO-2015017302-A2 BICYCLIC UREAS AND THIADIAZOLIDINE-1,1-DIOXIDES AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 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 (1 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-20160185784-A1 BICYCLIC UREAS AND THIADIAZOLIDINE-1, 1-DIOXIDES AS CETP INHIBITORS CETP, CES1, PON1 MAPT 1903/4885KDM4E 2206/4885SMN1; SMN2 4489/4885

“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.