SCHEMBL4128504

SCHEMBL4128504

CC(C)(C)CCn1ncc(Br)c(Br)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 8/20 0.59
▸ SMN1; SMN2 Q16637 8/20 0.59
▸ MITF O75030 3/20 0.59
▸ S1PR4 O95977 4/20 0.55
▸ S1PR1 P21453 4/20 0.55
▸ HTT P42858 7/20 0.42
▸ NPSR1 Q6W5P4 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ XBP1 P17861 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ GPR55 Q9Y2T6 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
SCHEMBL4147199 0.81 RAB9A (0.46) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8281626 0.77 NPC1 (0.60) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8544400 0.77 NPC1 (0.64) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4786381 0.77 NPC1 (0.55) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9377180 0.74 NPC1 (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4183392 0.72 NPC1 (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2888709 0.70 NPC1 (0.75) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4292263 0.70 NPC1 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9233774 0.69 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2893856 0.69 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 — — WO 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
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 NPC1 3467/4885RAB9A 3405/4885ALDH1A1 1965/4885

“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.

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