SCHEMBL1753018

SCHEMBL1753018

N=C(Nc1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 7/20 0.47
KAT6A Q92794 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CTSL P07711 1/20 0.41
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL28582169 0.85 NPC1 (0.54) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL3579715 0.81 KMT2A (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4825016 0.79 KMT2A (0.83) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL4828305 0.79 MEN1 (0.59) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL28574727 0.79 NPC1 (0.51) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL4822814 0.78 MAPT (0.50) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL3588906 0.77 RAB9A (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4824880 0.77 MEN1 (0.49) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL4824879 0.77 MEN1 (0.49) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL642844 0.75 CES2 (0.48) MEN1KMT2ATDP1MAPTRAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (2 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MEN1 2896/4885KMT2A 2711/4885TDP1 3534/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MEN1 2896/4885KMT2A 2711/4885TDP1 3534/4885

“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.