SCHEMBL16347241

SCHEMBL16347241

O=Cc1ccn(Cc2cccc(Br)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 2/20 0.50
CYP11B1 P15538 1/20 0.46
ADRA2C P18825 1/20 0.46
CYP11B2 P19099 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
XDH P47989 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL16388102 0.82 ALDH1A1 (0.62) CYP11B1CYP11B2TDP1SMN1; SMN2ALDH1A1
SCHEMBL16347294 0.82 CACNA1G (0.50) CYP11B1CYP11B2TDP1SMN1; SMN2ALDH1A1
SCHEMBL6078089 0.81 CACNA1G (0.48) HDAC1HDAC7SMN1; SMN2ALDH1A1HDAC3
SCHEMBL18277208 0.76 CHRM2 (0.45) HDAC1CYP11B1CYP11B2L3MBTL1HDAC6
SCHEMBL29700080 0.75 PTGER1 (0.60) HDAC1HDAC7CYP11B1ADRA2CCYP11B2
SCHEMBL6969733 0.75 CACNA1G (0.46) ALDH1A1
SCHEMBL16344890 0.74 MEN1 (0.49) CYP11B1ADRA2CCYP11B2TDP1SMN1; SMN2
SCHEMBL16347311 0.74 SMN1; SMN2 (0.43) HDAC1HDAC7CYP11B1ADRA2CCYP11B2
SCHEMBL5412525 0.73 SMN1; SMN2 (0.47) CYP11B1CYP11B2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18295112 0.71 MEN1 (0.44) CYP11B1ADRA2CCYP11B2TDP1SMN1; 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
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-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
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
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN 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 HDAC1 192/4885HDAC7 881/4885CYP11B1 581/4885

“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.