SCHEMBL5054804

SCHEMBL5054804

Nc1ccc([N+](=O)[O-])c(N)c1CCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5063513 0.92 POLB (0.64) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6235061 0.82 POLB (0.64) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL5929368 0.77 HRH3 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7567294 0.77 ALDH1A1 (0.47) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL10426684 0.76 POLB (0.47) POLBKMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2950263 0.75 KDM4E (0.56) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2953122 0.74 CYP1A2 (0.49) POLBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL17387499 0.73 KMT2A (0.47) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL5957832 0.73 ALDH1A1 (0.60) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL4967050 0.73 POLB (0.46) POLBMEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US 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-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
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 POLB 74/4885MEN1 2946/4885KMT2A 1686/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 POLB 74/4885MEN1 2946/4885KMT2A 1686/4885

“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.