SCHEMBL5065321

SCHEMBL5065321

Nc1cc(N2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
MAPT P10636 8/20 0.62
SIRT6 Q8N6T7 1/20 0.62
RECQL P46063 1/20 0.59
ALDH1A1 P00352 11/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
POLB P06746 3/20 0.54
NPC1 O15118 3/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.49
MITF O75030 1/20 0.46

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
SCHEMBL1127229 0.79 KMT2A (0.66) LMNAMAPTSIRT6ALDH1A1SMN1; SMN2
SCHEMBL21682958 0.78 SIRT6 (0.69) LMNAMAPTSIRT6ALDH1A1SMN1; SMN2
SCHEMBL6427075 0.78 GAA (0.65) LMNAMAPTALDH1A1POLBNPC1
SCHEMBL25877527 0.78 LMNA (0.94) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL3109069 0.78 LMNA (1.00) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL30059159 0.78 LMNA (1.00) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL2481045 0.78 MAPT (0.72) LMNAMAPTSIRT6ALDH1A1POLB
SCHEMBL77148 0.77 SIRT6 (1.00) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL8074050 0.77 LMNA (0.97) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL3381562 0.77 LMNA (0.97) 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 15 patents. 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-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 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
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 LMNA 834/4885MAPT 4502/4885SIRT6 3230/4885
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.