SCHEMBL16347378

SCHEMBL16347378

CC(C)(C)[Si](C)(C)OCc1cc(C=O)n(Cc2cccc(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 3/20 0.36
AGXT P21549 2/20 0.36
XDH P47989 1/20 0.36
TDO2 P48775 1/20 0.35
CYP19A1 P11511 2/20 0.35
SLC16A3 O15427 2/20 0.35
MCTS1 Q9ULC4 1/20 0.35
PTGER1 P34995 1/20 0.34
CYP11B1 P15538 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP11B2 P19099 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL16348007 0.83 MEN1 (0.38) MEN1KMT2APTGDR2GPR55MAOB
SCHEMBL16347516 0.81 XDH (0.44) MEN1KMT2APTGDR2GPR55SMN1; SMN2
SCHEMBL16347390 0.81 XDH (0.41) MEN1KMT2APTGDR2GPR55SMN1; SMN2
SCHEMBL16347245 0.79 PTGDR2 (0.39) MEN1KMT2APTGDR2GPR55SMN1; SMN2
SCHEMBL16347042 0.78 XDH (0.37) MEN1KMT2APTGDR2GPR55MAOB
SCHEMBL16347399 0.78 CYP19A1 (0.49) MEN1KMT2APTGDR2ALDH1A1SMN1; SMN2
SCHEMBL16348051 0.78 XDH (0.43) MEN1KMT2APTGDR2GPR55SMN1; SMN2
SCHEMBL722684 0.76 IDO1 (0.56) MAOBMAOAIDO1AGXT
SCHEMBL18295106 0.75 PTGER1 (0.41) MEN1KMT2APTGDR2GPR55MAOB
SCHEMBL24915169 0.73 DUT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 MEN1 4646/4885KMT2A 888/4885PTGDR2 3840/4885

“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.