SCHEMBL10205157

SCHEMBL10205157

CCN1CCN(C(=O)NC(c2ccccc2)C(C)C)C(=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ HDAC1 Q13547 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CMA1 P23946 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PRCP P42785 2/20 0.38

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
SCHEMBL10205112 0.89 MAPT (0.39) KMT2APOLBHDAC1ALDH1A1MAPT
SCHEMBL10265114 0.87 ALDH1A1 (0.48) KMT2AALDH1A1IDH1MAPTNPC1
SCHEMBL16808292 0.87 ALDH1A1 (0.48) KMT2AALDH1A1IDH1MAPTNPC1
SCHEMBL24457797 0.85 POLB (0.40) KMT2APOLBHDAC1ALDH1A1IDH1
SCHEMBL16804609 0.84 DPP4 (0.39) KMT2APOLBHDAC1ALDH1A1MAPT
SCHEMBL8597022 0.84 ATM (0.42) KMT2APOLBMAPT
SCHEMBL7828421 0.84 ATM (0.42) KMT2APOLBMAPT
Water SCHEMBL8600954 0.82 ATM (0.42) KMT2APOLBMAPT
SCHEMBL10372875 0.81 GPR88 (0.39) KMT2APOLBHDAC1ALDH1A1MAPT
SCHEMBL8626971 0.81 POLB (0.38) KMT2APOLBHDAC1ALDH1A1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 — — US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 — — US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 — — US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 — — US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 — — 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA KMT2A 3746/4885POLB 455/4885HDAC1 4420/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA KMT2A 3746/4885POLB 455/4885HDAC1 4420/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA KMT2A 3746/4885POLB 455/4885HDAC1 4420/4885

“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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