SCHEMBL12375092

SCHEMBL12375092

O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.43
GRM5 P41594 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKT1 P31749 1/20 0.36
NOTUM Q6P988 1/20 0.36
PRKDC P78527 1/20 0.36
USP7 Q93009 1/20 0.36
ERN1 O75460 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
RHEB Q15382 2/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL20535403 0.86 TDP1 (0.53) TERTGRM5HAO1ALDH1A1TDP1
SCHEMBL2279052 0.85 TDP1 (0.44) TERTHAO1ALDH1A1TDP1LMNA
SCHEMBL20535594 0.81 ALDH1A1 (0.41) TERTGRM5HAO1ALDH1A1TDP1
SCHEMBL3253021 0.81 TERT (0.45) TERTGRM5ALDH1A1TDP1LMNA
SCHEMBL21362601 0.77 PRKDC (0.41) TERTALDH1A1TDP1LMNAMAPT
SCHEMBL20535669 0.77 LMNA (0.43) HAO1ALDH1A1TDP1LMNAMAPT
SCHEMBL10957865 0.75 HAO1 (0.53) GRM5HAO1TDP1LMNAMAPT
SCHEMBL2280933 0.73 MAPT (0.50) TERTALDH1A1TDP1LMNAMAPT
SCHEMBL20535359 0.73 ALDH1A1 (0.53) TERTGRM5HAO1ALDH1A1TDP1
SCHEMBL5776519 0.73 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPRKDCERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
CN-111233908-A Benzoxaborol-1-ol compound and preparation method and application thereof 南京农业大学 2020-06-05 CN disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010045505-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC (US) 2010-04-22 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 (3 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS TERT 683/4885GRM5 3289/4885HAO1 3216/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS TERT 1107/4885GRM5 3498/4885HAO1 2418/4885
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 TERT 4388/4885GRM5 4026/4885HAO1 3469/4885

“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.