SCHEMBL4886589

SCHEMBL4886589

COc1ccc(CC(N)C(=O)Nc2ccc(CNC(=O)C3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.48
GLA P06280 1/20 0.48
CIT O14578 1/20 0.48
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 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
SCHEMBL4888204 0.89 EPHX2 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL4886597 0.85 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL23747460 0.84 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL5523975 0.83 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL26100647 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL26097960 0.81 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL23728220 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL26102262 0.80 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL23747554 0.78 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL26102668 0.78 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1

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 SMN1; SMN2 3140/4885ALDH1A1 1732/4885NPC1 83/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH SMN1; SMN2 1943/4885ALDH1A1 2546/4885NPC1 2526/4885

“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.