SCHEMBL6901408

SCHEMBL6901408

O=C(NCCc1ccccc1)Nc1ncc(Br)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CNR1 P21554 2/20 0.51
MAPT P10636 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRMT3 O60678 1/20 0.51
ROCK2 O75116 3/20 0.50
CA2 P00918 3/20 0.50
ROCK1 Q13464 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 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
SCHEMBL6901269 0.81 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL6906194 0.79 ALDH1A1 (0.72) NPC1RAB9ASMN1; SMN2CNR1HDAC1
SCHEMBL1932276 0.77 MAPK1 (0.64) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4897395 0.76 CNR1 (0.74) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL1932994 0.76 AURKB (0.65) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL4351660 0.76 NPC1 (0.59) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL28408741 0.76 KMT2A (0.71) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL7062259 0.75 ROCK2 (0.52) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL26686613 0.75 MAPK1 (0.52) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL4606056 0.74 EPHX1 (0.81) NPC1RAB9ASMN1; SMN2CNR1MAPT

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 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.