SCHEMBL6905520

SCHEMBL6905520

CCc1ccccc1NC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.67
RAB9A P51151 11/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
MAPT P10636 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
GAA P10253 1/20 0.63
POLB P06746 2/20 0.61
LMNA P02545 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
BUB1 O43683 1/20 0.60
ADORA1 P30542 1/20 0.59
DYRK1A Q13627 1/20 0.59
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL27259578 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6951826 0.86 BUB1 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27634788 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL32674581 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30945514 0.82 BUB1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9358641 0.82 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11725599 0.81 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL21568165 0.81 KMT2A (0.67) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11421487 0.81 RAB9A (0.77) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1842324 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 1253/4885RAB9A 3313/4885SMN1; 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.