SCHEMBL17797648

SCHEMBL17797648

O=C(O)N1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
AKR1C3 P42330 2/20 0.49
ADRA2A P08913 1/20 0.49
PNMT P11086 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.48
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
GRIN2B Q13224 2/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL30875692 0.91 HPGD (0.56) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL396861 0.91 HPGD (0.56) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL2310023 0.86 ALDH1A1 (0.55) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL6097088 0.82 MEN1 (0.53) HPGDADRA2APNMTMEN1KMT2A
SCHEMBL720157 0.82 ESR1 (0.53) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL2061374 0.82 HPGD (0.47) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL1393124 0.81 DPP7 (0.56) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL4594096 0.81 AKR1C3 (0.46) HPGDAKR1C3ADRA2APNMTMEN1
SCHEMBL30561538 0.81 NOTUM (0.56) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL5599548 0.81 NOTUM (0.56) HPGDAKR1C3MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2018-08-29 EP disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US 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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HPGD 1580/4885AKR1C3 907/4885ADRA2A 726/4885

“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.