SCHEMBL6906687

SCHEMBL6906687

O=C(NCCc1ccccc1)Nc1ccncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.60
ROCK1 Q13464 2/20 0.60
PRMT3 O60678 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
EPHX1 P07099 3/20 0.51
NPC1 O15118 3/20 0.51
CNR1 P21554 1/20 0.51
ATG4B Q9Y4P1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.50
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48

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
SCHEMBL1160957 0.77 HTT (0.64) MAPK1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6647005 0.77 RAB9A (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL6906194 0.77 ALDH1A1 (0.72) ROCK2ROCK1MAPK1RAB9ASMN1; SMN2
SCHEMBL4557710 0.77 DEGS1 (0.60) RAB9ANPC1ALDH1A1MAPTCHRNB2
SCHEMBL11615935 0.77 ROCK2 (0.79) ROCK2ROCK1PRMT3RAB9ASMN1; SMN2
SCHEMBL8946387 0.76 NPC1 (0.68) RAB9ASMN1; SMN2EPHX1NPC1NAMPT
SCHEMBL16347264 0.76 HTT (0.62) RAB9ASMN1; SMN2EPHX1NPC1ALDH1A1
SCHEMBL1171563 0.76 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2EPHX1NPC1CNR1
SCHEMBL26686613 0.76 MAPK1 (0.52) ROCK2ROCK1PRMT3TRPV1MAPK1
SCHEMBL4783915 0.76 ALDH1A1 (0.48) ROCK2ROCK1RAB9ASMN1; SMN2NPC1

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 ROCK2 1972/4885ROCK1 1356/4885PRMT3 629/4885

“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.