SCHEMBL11697405

SCHEMBL11697405

CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
MAPT P10636 9/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
POLB P06746 5/20 0.56
KDM4E B2RXH2 4/20 0.56
RECQL P46063 2/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
F2 P00734 1/20 0.53
RCE1 Q9Y256 1/20 0.53
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50

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
SCHEMBL1780918 0.92 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL20825815 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL12395547 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL3364332 0.86 RAB9A (0.50) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5666638 0.84 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL14078329 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL28835926 0.81 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL12812841 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL27474529 0.79 ALDH1A1 (0.57) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL11695937 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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-20080214576-A1 Topoisomerase Inhibitors and Prodrugs TOP2A, TOP1, TOP2B ALDH1A1 2978/4885MAPT 2510/4885KMT2A 2081/4885

“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.