SCHEMBL6908592

SCHEMBL6908592

CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1OCOC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.45
FPR2 P25090 2/20 0.45
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 3/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
F10 P00742 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6906802 0.87 SMN1; SMN2 (0.48) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6906796 0.87 SMN1; SMN2 (0.48) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6905976 0.87 SMN1; SMN2 (0.48) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6905018 0.87 SMN1; SMN2 (0.48) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6903793 0.87 SMN1; SMN2 (0.48) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6906043 0.87 FPR1 (0.46) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6908195 0.83 RAB9A (0.49) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL9030656 0.83 RAB9A (0.49) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL7559875 0.82 FPR1 (0.40) FPR1FPR2RAB9ASMN1; SMN2NPC1
SCHEMBL6908200 0.81 FPR1 (0.40) FPR1FPR2RAB9ASMN1; SMN2NPC1

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 7 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-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 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 FPR1 3393/4885FPR2 4096/4885RAB9A 3313/4885

“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.