SCHEMBL4886597

SCHEMBL4886597

COc1ccc(CC(N)C(=O)Nc2ccc(CNC3CCCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
EPHX2 P34913 3/20 0.51
EPHX1 P07099 1/20 0.51
CIT O14578 1/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4888221 0.89 MEN1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL4886589 0.85 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL5561106 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL6665555 0.78 KMT2A (0.65) ALDH1A1SMN1; SMN2RAB9ACITMAPT
SCHEMBL30452307 0.78 KMT2A (0.65) ALDH1A1SMN1; SMN2RAB9ACITMAPT
SCHEMBL7039856 0.78 HDAC8 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9ACIT
SCHEMBL5561161 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL630340 0.76 NPC1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ACIT
SCHEMBL14110846 0.76 OPRM1 (0.54) ALDH1A1NPC1CITMAPTMAPK1
SCHEMBL4886593 0.76 ITGB1 (0.51) ALDH1A1SMN1; SMN2CITKMT2APOLB

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