SCHEMBL403267

SCHEMBL403267

COc1ccc([N+](=O)[O-])cc1CON

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
IDO1 P14902 6/20 0.57
HTT P42858 4/20 0.57
LCK P06239 1/20 0.52
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
CCR5 P51681 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL18216619 0.87 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL2586412 0.84 TDP1 (0.63) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL8964829 0.83 TDP1 (0.62) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL8973475 0.83 TDP1 (0.62) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL28941115 0.82 TDP1 (0.53) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL18213804 0.82 TDP1 (0.53) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL922726 0.81 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL4652150 0.81 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL3749821 0.81 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL3749823 0.81 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-8017618-B2 Administering antifolate anticancer agent and methoxyamine to enhance or increase the effect of the antifolate anticancer agent TRACON PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER TRACON PHARMACEUTICALS, INC. (US) 2008-09-25 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 (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-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 TDP1 107/4885IDO1 4025/4885HTT 4496/4885
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER FEN1, UNG, FOLR1 TDP1 441/4885IDO1 3342/4885HTT 4396/4885

“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.