SCHEMBL17877757

SCHEMBL17877757

COc1ccc(-c2ccc(OC=O)nc2C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL17877755 0.76 MAPT (0.48) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL16430184 0.75 KDM4E (0.60) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL16431414 0.74 MAPT (0.46) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL10112833 0.73 ERN1 (0.38) KDM4EALDH1A1MEN1ERN1POLB
SCHEMBL16430818 0.71 KDM4E (0.41) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL16431007 0.70 MAPT (0.49) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL12326165 0.68 MAPT (0.56) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL29697785 0.68 MAPT (0.56) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL8387066 0.68 MAPT (0.48) MAPTMAOBKDM4ESMN1; SMN2NPC1
SCHEMBL8390535 0.68 MAPT (0.48) MAPTMAOBKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1903/4885MAOB 949/4885KDM4E 2206/4885

“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.