SCHEMBL4889467

SCHEMBL4889467

NCCCC[C@H](NC(=O)CNc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
FOLH1 Q04609 2/20 0.45
C3AR1 Q16581 6/20 0.44
HDAC1 Q13547 1/20 0.43
GRK2 P25098 3/20 0.42
GRK3 P35626 2/20 0.42
ROCK2 O75116 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
GRK5 P34947 1/20 0.42
PYGL P06737 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 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
SCHEMBL4889478 1.00 MEN1 (0.46) MEN1GAAKMT2AMAPK1FOLH1
SCHEMBL4598833 0.86 CA1 (0.47) MEN1GAAKMT2AFOLH1C3AR1
SCHEMBL4598827 0.86 CA1 (0.47) MEN1GAAKMT2AFOLH1C3AR1
SCHEMBL4889077 0.86 FOLH1 (0.54) MEN1KMT2AFOLH1C3AR1GRK2
SCHEMBL4889060 0.86 FOLH1 (0.54) MEN1KMT2AFOLH1C3AR1GRK2
SCHEMBL4889214 0.83 SMN1; SMN2 (0.51) MEN1GAAKMT2AMAPK1GRK2
SCHEMBL4889227 0.83 SMN1; SMN2 (0.51) MEN1GAAKMT2AMAPK1GRK2
SCHEMBL4600219 0.83 MTNR1A (0.47) MEN1KMT2AC3AR1HDAC1GRK2
SCHEMBL4739946 0.83 GRK2 (0.47) MAPK1HDAC1GRK2GRK3ROCK2
SCHEMBL4739940 0.83 GRK2 (0.47) MAPK1HDAC1GRK2GRK3ROCK2

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MEN1 4687/4885GAA 617/4885KMT2A 3406/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MEN1 3230/4885GAA 139/4885KMT2A 1805/4885

“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.