SCHEMBL1552069

SCHEMBL1552069

CCc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 7/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PLK1 P53350 1/20 0.41
AGTR1 P30556 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
EGFR P00533 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
SCHEMBL3678183 0.81 ALDH1A1 (0.47) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL3682780 0.81 MAPT (0.44) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL28399803 0.78 GAA (0.50) MAPTGAACNR1CNR2ALDH1A1
SCHEMBL48235 0.78 MAPT (0.52) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL3682692 0.78 MAPT (0.41) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL13445698 0.78 RAB9A (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13170447 0.77 CNR1 (0.41) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL1252299 0.75 GAA (0.50) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL12290954 0.75 MAPT (0.52) MAPTHTTSMN1; SMN2GAACNR1
SCHEMBL14126382 0.75 GAA (0.43) MAPTHTTSMN1; SMN2GAACNR1

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
EP-2312944-B1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-09-05 EP disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
EP-2312944-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2011-04-27 EP disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
WO-2010009243-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-01-21 WO disclosed
WO-2010009243-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-01-21 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-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A1, SLC5A2, SLC2A4 MAPT 1284/4885HTT 480/4885SMN1; SMN2 3645/4885

“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.