SCHEMBL15031932

SCHEMBL15031932

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)CCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ P2RX4 Q99571 2/20 0.37
▸ SRC P12931 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC16A3 O15427 1/20 0.36

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
SCHEMBL15007021 0.88 CA12 (0.36) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL10953413 0.82 P2RX4 (0.40) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL21179861 0.81 CA12 (0.38) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL9009797 0.80 MAPT (0.48) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL9794866 0.79 P2RX4 (0.49) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL7007991 0.77 P2RX4 (0.56) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL18216974 0.77 P2RX4 (0.36) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL11303496 0.76 P2RX4 (0.43) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL10485311 0.76 P2RX4 (0.54) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL10955890 0.75 P2RX4 (0.40) KMT2AMEN1ALDH1A1HPGDHSD17B10

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-10357574-B2 Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo THE GENERAL HOSPITAL CORPORATION (US) 2019-07-23 — — US disclosed
US-20170368202-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO THE GENERAL HOSPITAL CORPORATION 2017-12-28 — — US disclosed
US-9636423-B2 Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo THE GENERAL HOSPITAL CORPORATION (US) 2017-05-02 — — US disclosed
US-9636423-B2 Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo THE GENERAL HOSPITAL CORPORATION (US) 2017-05-02 — — US disclosed
US-20130149251-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO THE GENERAL HOSPITAL CORPORATION (US) 2013-06-13 — — US disclosed
US-20130149251-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO THE GENERAL HOSPITAL CORPORATION (US) 2013-06-13 — — 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 (3 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-20170368202-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO MPO, NOX3, CYBB KMT2A 4048/4885MEN1 3881/4885ALDH1A1 2334/4885
US-20130149251-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO MPO, NOX3, CYBB KMT2A 4048/4885MEN1 3881/4885ALDH1A1 2334/4885
US-10357574-B2 Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo MPO, NOX3, CYBB KMT2A 4048/4885MEN1 3881/4885ALDH1A1 2334/4885

“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.

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