SCHEMBL6900486

SCHEMBL6900486

CCOc1ccc(OC)c(C2(NC(=O)Nc3ccc(Br)cn3)CC2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 10/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 7/20 0.47
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
XBP1 P17861 1/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8591854 0.74 MEN1 (0.44) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6906171 0.72 RAB9A (0.58) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6901407 0.71 RAB9A (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6905330 0.71 RAB9A (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6907237 0.71 RAB9A (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6905326 0.71 RAB9A (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6905335 0.70 RAB9A (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7663508 0.70 RAB9A (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL27897933 0.66 RAB9A (0.74) MAPTRAB9ANPC1TSHR
SCHEMBL2237927 0.65 MEN1 (0.71) MAPTRAB9AMEN1KMT2ANPC1

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 MAPT 1337/4885RAB9A 3313/4885MEN1 4674/4885

“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.