SCHEMBL6907276

SCHEMBL6907276

CC(NC(=O)Nc1ccc(Br)cn1)c1ncccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
FPR2 P25090 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL6906856 0.86 ALDH1A1 (0.48) MAPK1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL7062575 0.86 MAPK1 (0.40) MAPK1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6906860 0.79 RAB9A (0.40) MAPK1RAB9ANPC1KDM4ELMNA
SCHEMBL6901407 0.78 RAB9A (0.50) MAPK1RAB9ANPC1KDM4ELMNA
SCHEMBL5256669 0.77 RAB9A (0.57) MAPK1RAB9ANPC1KDM4ELMNA
SCHEMBL23666646 0.75 L3MBTL1 (0.57) MAPK1RAB9ANPC1KDM4ELMNA
SCHEMBL25222629 0.71 SIRT2 (0.35) MAPK1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL31041552 0.71 SIRT2 (0.35) MAPK1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL25222628 0.71 SIRT2 (0.35) MAPK1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11104934 0.70 NPC1 (0.55) MAPK1RAB9ANPC1KDM4ELMNA

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 MAPK1 3678/4885RAB9A 3313/4885NPC1 1253/4885

“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.