SCHEMBL5578229

SCHEMBL5578229

COC(=O)c1nn(C2CCCCO2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
FKBP1A P62942 1/20 0.39
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CPB1 P15086 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
F10 P00742 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL5578296 0.92 NPC1 (0.41) NPC1RAB9ACYP1A2FAAHMGLL
SCHEMBL5578485 0.87 NPC1 (0.41) NPC1RAB9ACYP1A2FAAHMGLL
SCHEMBL5578227 0.84 NPC1 (0.40) NPC1RAB9ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL30496521 0.83 CYP1A2 (0.40) NPC1RAB9ACYP1A2ELANESMN1; SMN2
SCHEMBL30134079 0.81 CNR2 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5821921 0.81 CNR2 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30899981 0.80 CNR2 (0.36) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL4285703 0.79 MAPT (0.43) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8273357 0.77 CCNA2 (0.39) NPC1RAB9ACYP1A2POLB
SCHEMBL3583397 0.77 POLB (0.42) RAB9AALDH1A1KDM4EPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 NPC1 1220/4885RAB9A 4050/4885CYP1A2 1378/4885

“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.