SCHEMBL12106911

SCHEMBL12106911

CCCN(CC)c1ccc(N=C2C=C(NC(=O)CC)C(=O)C(Cl)=C2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.36
MAPT P10636 6/20 0.33
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MCL1 Q07820 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
CCR6 P51684 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ESRRG P62508 1/20 0.32
HTT P42858 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL12106917 0.94 MAPT (0.36) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL12106906 0.91 GHSR (0.36) GHSRMAPTMAPK1KDM4EALDH1A1
SCHEMBL12106903 0.88 HDAC3 (0.37) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL56041 0.87 RORC (0.32) GHSRESRRG
SCHEMBL12106907 0.85 MAPT (0.32) GHSRMAPTMAPK1KDM4EALDH1A1
SCHEMBL12106921 0.84 ALDH1A1 (0.38) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL12106904 0.82 CNR2 (0.41) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL92428 0.82 MAPT (0.39) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL12106922 0.82 CNR2 (0.40) MAPTMAPK1KDM4EALDH1A1MCL1
SCHEMBL14157756 0.80 ESRRG (0.43) MAPTMAPK1KDM4EALDH1A1MCL1

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-8052785-B2 Polymer containing image receiver sheet on support FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2008-10-02 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-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER INMT, TYR, IK GHSR 3378/4885MAPT 389/4885MAPK1 18/4885

“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.