SCHEMBL6906198

SCHEMBL6906198

CCc1ccccc1NC(=O)Nc1ccc(Br)cn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
RAB9A P51151 11/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL31241078 0.83 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL6901271 0.83 HTT (0.52) KDM4ESMN1; SMN2LMNARAB9AMAPT
SCHEMBL6901413 0.79 HTT (0.51) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL29580443 0.79 HTT (0.72) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9717979 0.79 HTT (0.72) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9954640 0.77 RAB9A (0.73) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL27897933 0.77 RAB9A (0.74) RAB9ANPC1MAPT
SCHEMBL6906691 0.77 HTT (0.51) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27578668 0.75 MEN1 (0.63) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL16166784 0.75 RAB9A (0.61) KDM4ESMN1; SMN2LMNARAB9ANPC1

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 KDM4E 1470/4885SMN1; SMN2 4248/4885LMNA 2143/4885

“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.