SCHEMBL16459003

SCHEMBL16459003

Cc1nc(C)c(COc2ccc(C=O)cc2OCc2nc(C)c(C)nc2C)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.52
ALDH1A1 P00352 12/20 0.51
MAPT P10636 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FDPS P14324 1/20 0.49
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL16471789 0.85 TACR2 (0.37) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16459820 0.79 FDPS (0.52) ALDH1A1MAPTFDPSKDM4ELMNA
SCHEMBL16459818 0.79 FDPS (0.52) ALDH1A1MAPTFDPSKDM4ELMNA
SCHEMBL16460041 0.76 NFE2L2 (0.64) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL582919 0.76 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL582918 0.76 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL28164564 0.75 HTT (0.52) ALDH1A1KDM4EHTTRAB9ATSHR
SCHEMBL583609 0.73 FDPS (0.69) ALDH1A1MAPTFDPSKDM4ENPC1
SCHEMBL583610 0.73 FDPS (0.69) ALDH1A1MAPTFDPSKDM4ENPC1
SCHEMBL13143814 0.73 FDPS (0.69) ALDH1A1MAPTFDPSKDM4ENPC1

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-20140011813-A1 Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof HAIMIN LEI (CN) 2014-01-09 US claimed
US-8987449-B2 Medicine for treating ischemic brain injury and its sequelae, and preparation method thereof HAIMIN LEI (CN) 2015-03-24 US disclosed
US-8987449-B2 Medicine for treating ischemic brain injury and its sequelae, and preparation method thereof HAIMIN LEI (CN) 2015-03-24 US disclosed
US-8987449-B2 Medicine for treating ischemic brain injury and its sequelae, and preparation method thereof HAIMIN LEI (CN) 2015-03-24 US disclosed
US-20140011813-A1 Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof HAIMIN LEI (CN) 2014-01-09 US disclosed
US-20140011813-A1 Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof HAIMIN LEI (CN) 2014-01-09 US disclosed
US-20140011813-A1 Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof HAIMIN LEI (CN) 2014-01-09 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-20140011813-A1 Medicine for Treating Ischemic Brain Injury and its Sequelae, and Preparation Method Thereof FABP7, FABP3, FLT4 TACR2 724/4885ALDH1A1 88/4885MAPT 3694/4885

“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.