SCHEMBL1458873

SCHEMBL1458873

CC1(C)OB(c2ccc(SCc3ccccn3)cc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.45
LIPG Q9Y5X9 9/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
DAO P14920 1/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 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
SCHEMBL12031317 0.79 LIPG (0.56) LPLLIPG
SCHEMBL1458500 0.77 DGAT1 (0.53) LPLLIPGNPC1RAB9ASMN1; SMN2
SCHEMBL257870 0.76 LIPG (0.56) LPLLIPG
SCHEMBL8362996 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29405082 0.74 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL432670 0.74 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL171814 0.73 LPL (0.50) LPLLIPGSMN1; SMN2CYP1A2CYP2D6
SCHEMBL22660887 0.72 LPL (0.44) LPLLIPGNPC1RAB9AALDH1A1
SCHEMBL4635750 0.71 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3388873 0.71 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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
EP-2480556-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036128-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-03-24 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-20110070190-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, RTF2, HCCS LPL 3435/4885LIPG 3788/4885NPC1 979/4885

“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.