SCHEMBL21179861

SCHEMBL21179861

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ P2RX4 Q99571 1/20 0.31
▸ MAPT P10636 4/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ATM Q13315 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CASP7 P55210 1/20 0.31

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
SCHEMBL15031940 0.93 CA12 (0.36) CA12CA9KMT2ANPC1RAB9A
SCHEMBL15031932 0.81 KMT2A (0.38) CA12CA9KMT2ANPC1RAB9A
SCHEMBL15007021 0.79 CA12 (0.36) CA12CA9KMT2ANPC1RAB9A
SCHEMBL15006732 0.76 MAPK1 (0.46) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL583642 0.73 HDAC3 (0.55) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL10953413 0.73 P2RX4 (0.40) CA12CA9KMT2ANPC1RAB9A
SCHEMBL9009797 0.71 MAPT (0.48) CA12CA9KMT2APOLBP2RX4
SCHEMBL10485311 0.71 P2RX4 (0.54) CA12CA9KMT2ANPC1RAB9A
SCHEMBL29625793 0.70 P2RX4 (0.49) CA12CA9KMT2AP2RX4MAPT
SCHEMBL15031938 0.70 MAPK1 (0.42) KMT2AMAPTALDH1A1LMNAKDM4E

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 1 patent. 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

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-10357574-B2 Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo MPO, NOX3, CYBB CA12 403/4885CA9 177/4885KMT2A 4048/4885

“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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