SCHEMBL2557640

SCHEMBL2557640

Nc1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.71
▸ MAPT P10636 14/20 0.66
▸ SIRT6 Q8N6T7 2/20 0.66
▸ RECQL P46063 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR7 P34969 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL18973917 0.87 LMNA (0.73) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL26115108 0.86 LMNA (0.53) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL31339097 0.86 LMNA (0.53) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL12813106 0.86 LMNA (0.71) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL13816587 0.84 MAPT (0.68) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL5065287 0.84 LMNA (0.68) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL30059159 0.83 LMNA (1.00) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL3109069 0.83 LMNA (1.00) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL25877527 0.83 LMNA (0.94) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL111292 0.82 LMNA (0.66) LMNAMAPTSIRT6RECQLALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 — — EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 — — US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 — — WO claimed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 — — EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 — — US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 — — US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — WO disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 — — EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 — — US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 — — 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LMNA 2735/4885MAPT 4057/4885SIRT6 2660/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 LMNA 834/4885MAPT 4502/4885SIRT6 3230/4885

“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.

Send feedback