SCHEMBL6907244

SCHEMBL6907244

CCOc1ccc(F)c(C2CC2N(S)C(=O)Nc2ccc(Cl)cn2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
F10 P00742 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
PTK2 Q05397 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
SCHEMBL9032038 0.93 NPC1 (0.46) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6906796 0.80 SMN1; SMN2 (0.48) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6903793 0.80 SMN1; SMN2 (0.48) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6906802 0.80 SMN1; SMN2 (0.48) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6906732 0.77 RAB9A (0.43) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6906734 0.77 RAB9A (0.43) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL8892923 0.74 MEN1 (0.51) NPC1SMN1; SMN2MAPTRAB9AALOX15
SCHEMBL6906702 0.73 NPC1 (0.36) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6905976 0.73 SMN1; SMN2 (0.48) NPC1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL6905018 0.73 SMN1; SMN2 (0.48) NPC1SMN1; SMN2MAPTTP53RAB9A

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 NPC1 1253/4885SMN1; SMN2 4248/4885MAPT 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.