SCHEMBL6905516

SCHEMBL6905516

O=C(NCCc1ccccc1)Nc1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
NPC1 O15118 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.69
CSNK1D P48730 6/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
MMP3 P08254 1/20 0.57
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA1 P30542 1/20 0.56
DYRK1A Q13627 1/20 0.56
ACP1 P24666 1/20 0.55
NCS1 P62166 1/20 0.54

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
SCHEMBL18541823 0.86 NPC1 (0.71) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL2791120 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL2792307 0.85 NPC1 (0.78) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL6951823 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL6228337 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL2790542 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL2790523 0.82 NPC1 (0.72) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL2431114 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL6229810 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1
SCHEMBL32674581 0.81 NPC1 (0.84) RAB9ANPC1SMN1; SMN2CSNK1DNFKB1

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 RAB9A 3313/4885NPC1 1253/4885SMN1; SMN2 4248/4885

“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.