SCHEMBL6908080

SCHEMBL6908080

CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=S)Nc2ccc(Cl)cn2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL6907047 0.93 RAB9A (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL9032043 0.93 RAB9A (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6908195 0.89 RAB9A (0.49) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL9030656 0.89 RAB9A (0.49) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6906734 0.88 RAB9A (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6906732 0.88 RAB9A (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6906067 0.84 KMT2A (0.48) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6905018 0.82 SMN1; SMN2 (0.48) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL6905283 0.78 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6906802 0.76 SMN1; SMN2 (0.48) RAB9ANPC1MAPTTP53SMN1; 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 5 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

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 3313/4885NPC1 1253/4885MAPT 1337/4885

“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.