SCHEMBL3542693

SCHEMBL3542693

CCN(CC)c1ccc2c(C#N)c(C(C)=O)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.53
▸ MAPT P10636 9/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ ATM Q13315 7/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ MAOB P27338 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ ALDH1A1 P00352 12/20 0.52
▸ GLA P06280 5/20 0.52
▸ GAA P10253 1/20 0.52
▸ KLK7 P49862 1/20 0.52
▸ HTT P42858 4/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ HSD17B10 Q99714 5/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ CASP1 P29466 4/20 0.50
▸ CASP7 P55210 4/20 0.50
▸ CYP3A4 P08684 3/20 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
SCHEMBL1368258 0.92 KDM4E (0.54) KDM4EMAPTMEN1KMT2AATM
SCHEMBL3154854 0.91 ALDH1A1 (0.53) KDM4EMAPTMEN1KMT2AATM
SCHEMBL29129833 0.85 KDM4E (0.60) KDM4EMAPTMEN1KMT2AATM
SCHEMBL4391838 0.85 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2AATM
SCHEMBL9313562 0.84 MAOB (0.61) KDM4EMAPTMEN1KMT2AATM
SCHEMBL28473974 0.83 ALDH1A1 (0.58) KDM4EMAPTMEN1KMT2AATM
SCHEMBL15920413 0.78 KDM4E (0.43) KDM4EMAPTMEN1KMT2AATM
SCHEMBL29415447 0.77 ALDH1A1 (0.60) KDM4EMAPTMEN1KMT2AATM
SCHEMBL592818 0.77 ALDH1A1 (0.60) KDM4EMAPTMEN1KMT2AATM
SCHEMBL14111523 0.76 ALDH1A1 (0.46) KDM4EMAPTMEN1KMT2AATM

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-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK KDM4E 1692/4885MAPT 4747/4885MEN1 418/4885

“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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