SCHEMBL6906225

SCHEMBL6906225

CCOc1cc(OC)c(NC(=O)Nc2ccc(Cl)cn2)c(F)c1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
F10 P00742 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6907273 0.88 RAB9A (0.48) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL7663508 0.87 RAB9A (0.54) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL7664454 0.77 L3MBTL1 (0.53) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL6905018 0.67 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL9030656 0.67 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL6908195 0.67 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL7662415 0.67 L3MBTL1 (0.62) RAB9ASMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL6906802 0.65 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL6903793 0.65 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53CYP1A2
SCHEMBL6905976 0.65 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E RAB9A 3313/4885SMN1; SMN2 4248/4885NPC1 1253/4885

“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.