SCHEMBL4147199

SCHEMBL4147199

COc1cnn(CCC(C)(C)C)c(=O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 10/20 0.45
▸ NPC1 O15118 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MITF O75030 2/20 0.40
▸ S1PR4 O95977 2/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ XBP1 P17861 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL8283496 0.82 RAB9A (0.48) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL4128504 0.81 NPC1 (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4125695 0.79 LMNA (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4498149 0.74 RAB9A (0.55) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL4178254 0.72 ALDH1A1 (0.61) RAB9ASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL21521858 0.71 NPBWR1 (0.61) RAB9ASMN1; SMN2L3MBTL1ALDH1A1HSD17B10
SCHEMBL14385181 0.71 RAB9A (0.55) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL981321 0.67 RAB9A (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL24184530 0.65 ALDH1A1 (0.40) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPC1
SCHEMBL4140192 0.64 SCN9A (0.33) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT

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-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — 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-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI RAB9A 3405/4885SMN1; SMN2 4370/4885L3MBTL1 4482/4885

“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.

Send feedback