SCHEMBL4299550

SCHEMBL4299550

COC(=O)c1cc(N2CCCC2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
IP6K1 Q92551 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR6 P50406 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
GFER P55789 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL29067465 0.88 SIRT6 (0.64) SIRT6MEN1KMT2ARAB9AMAPT
SCHEMBL25727525 0.87 KDM4E (0.47) SIRT6MEN1KMT2AMAPTKDM4E
SCHEMBL31390780 0.87 PRKDC (0.51) SIRT6MEN1KMT2ARAB9AMAPT
SCHEMBL27301539 0.87 KMT2A (0.48) SIRT6IP6K1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL25239609 0.86 KDM4E (0.49) SIRT6MEN1KMT2AMAPTKDM4E
SCHEMBL20509930 0.82 IP6K1 (0.68) SIRT6IP6K1MEN1KMT2ARAB9A
SCHEMBL25727522 0.82 SIRT6 (0.43) SIRT6MEN1KMT2ARAB9AMAPT
SCHEMBL40467 0.81 IP6K1 (0.66) SIRT6IP6K1MEN1KMT2ARAB9A
SCHEMBL194980 0.81 SIRT6 (0.49) SIRT6IP6K1MEN1KMT2ARAB9A
SCHEMBL25232046 0.81 MAPT (0.52) SIRT6MEN1KMT2AMAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 EP disclosed
US-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120849-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 WO disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 SIRT6 2260/4885IP6K1 4279/4885MEN1 4668/4885
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B SIRT6 2824/4885IP6K1 3982/4885MEN1 2763/4885
US-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof CYP2U1, SEC22B, SEC63 SIRT6 2413/4885IP6K1 4133/4885MEN1 3396/4885

“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.