SCHEMBL23915973

SCHEMBL23915973

CCN(CC)c1ccc2c(COC(N)=O)cc(=S)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.51
▸ KDM4E B2RXH2 9/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ GLA P06280 7/20 0.51
▸ HPGD P15428 7/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 12/20 0.46
▸ ATM Q13315 7/20 0.46
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ CASP1 P29466 4/20 0.46
▸ CASP7 P55210 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL21771607 0.89 MAPT (0.52) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL25140697 0.83 IGLV6-57 (0.49) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL24860258 0.80 ALDH1A1 (0.49) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL30430934 0.80 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL12894158 0.76 MAPT (0.67) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL12109476 0.76 KDM4E (0.64) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL29255957 0.75 KDM4E (0.66) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL24235203 0.75 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL12109485 0.74 MEN1 (0.61) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL8006711 0.73 ALDH1A1 (0.68) MAPTKDM4EMEN1KMT2AGLA

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-20210317429-A1 METHODS AND COMPOSITIONS FOR OPTOCHEMICAL CONTROL OF CRISPR-CAS9 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 — — 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-20210317429-A1 METHODS AND COMPOSITIONS FOR OPTOCHEMICAL CONTROL OF CRISPR-CAS9 DCLRE1B, DNASE1, ZFR MAPT 1287/4885KDM4E 3315/4885MEN1 4360/4885

“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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