SCHEMBL6903832

SCHEMBL6903832

CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(O)c(Br)n2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 2/20 0.32
NTRK1 P04629 4/20 0.32
KDM1A O60341 1/20 0.32
CNR1 P21554 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7062900 1.00 FPR1 (0.33) FPR1FPR2KCNQ3KCNQ2MRGPRX1
SCHEMBL6906796 0.84 SMN1; SMN2 (0.48) FPR1FPR2MAPTTP53NPC1
SCHEMBL6906802 0.84 SMN1; SMN2 (0.48) FPR1FPR2MAPTTP53NPC1
SCHEMBL6903793 0.84 SMN1; SMN2 (0.48) FPR1FPR2MAPTTP53NPC1
SCHEMBL6905976 0.79 SMN1; SMN2 (0.48) FPR1FPR2MAPTTP53NPC1
SCHEMBL6905018 0.77 SMN1; SMN2 (0.48) FPR1FPR2MAPTTP53NPC1
SCHEMBL6905330 0.75 RAB9A (0.47) FPR1FPR2HCRTR2MAPTNPC1
SCHEMBL6905326 0.75 RAB9A (0.47) FPR1FPR2HCRTR2MAPTNPC1
SCHEMBL6907237 0.75 RAB9A (0.47) FPR1FPR2HCRTR2MAPTNPC1
SCHEMBL6909347 0.74 SMN1; SMN2 (0.50) FPR1FPR2MAPTNPC1RAB9A

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
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

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 4096/4885KCNQ3 4583/4885

“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.