SCHEMBL16388293

SCHEMBL16388293

COC(C)c1cc(C=O)nn1Cc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
XDH P47989 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP19A1 P11511 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
PTGER1 P34995 1/20 0.35
CYP11B1 P15538 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL28060119 0.82 XDH (0.41) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL28060195 0.82 XDH (0.41) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL16347425 0.81 XDH (0.49) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL16388008 0.81 MEN1 (0.42) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL16344890 0.79 MEN1 (0.49) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL18295112 0.76 MEN1 (0.44) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL16347042 0.76 XDH (0.37) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL20569445 0.74 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL16347182 0.74 XDH (0.43) IDO1TDO2PTGDR2MEN1KMT2A
SCHEMBL16348007 0.73 MEN1 (0.38) IDO1TDO2PTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 IDO1 3499/4885TDO2 3735/4885PTGDR2 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.