SCHEMBL15031938

SCHEMBL15031938

C=C1CCC(=O)N1OC(=O)CCCC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SNCA P37840 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADRB3 P13945 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL15006732 0.93 MAPK1 (0.46) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL15031940 0.78 CA12 (0.36) KMT2A
SCHEMBL15031934 0.76 MAPK1 (0.59) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL15007308 0.74 MAPK1 (0.53) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL15308992 0.73 KMT2A (0.33) KMT2A
SCHEMBL21179861 0.70 CA12 (0.38) MAPK1MEN1KMT2AL3MBTL1LMNA
SCHEMBL19432859 0.69 KMT2A (0.32) KMT2A
SCHEMBL11764947 0.69 MAPK1 (0.62) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL13019549 0.69 MAPK1 (0.50) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL16938161 0.68 KMT2A (0.41) KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20170368202-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO MPO, NOX3, CYBB MAPK1 1531/4885MEN1 3881/4885KMT2A 4048/4885
US-20130149251-A1 OPTICAL SENSOR CONJUGATES FOR DETECTING REACTIVE OXYGEN AND/OR REACTIVE NITROGEN SPECIES IN VIVO MPO, NOX3, CYBB MAPK1 1531/4885MEN1 3881/4885KMT2A 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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