SCHEMBL14643128

SCHEMBL14643128

CC(C)CC1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccccc3CI)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 3/20 0.39
CCR3 P51677 1/20 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
SCHEMBL7523239 0.88 MAPT (0.43) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL7517503 0.88 KDM4E (0.43) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL10305490 0.88 MAPT (0.41) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL7517913 0.88 POLB (0.41) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL7522680 0.87 LMNA (0.47) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL14644351 0.87 MEN1 (0.41) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL7517813 0.86 KDM4E (0.51) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL7514951 0.86 HDAC1 (0.51) TP53ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7516175 0.85 NPC1 (0.48) MAPTTP53ALDH1A1KMT2AHPGD
SCHEMBL7516805 0.85 BACE1 (0.47) MAPTALDH1A1KDM4EKMT2AHPGD

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-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2013-01-17 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-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 MAPT 169/4885TP53 1158/4885ALDH1A1 4505/4885

“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.