SCHEMBL500040

SCHEMBL500040

C=CCOCCc1ccc(Cc2cc(Br)ccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.42
SLC5A1 P13866 4/20 0.42
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCR5 P51681 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29198766 0.87 HTR2A (0.37) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL499606 0.86 SLC5A2 (0.56) SLC5A2SLC5A1HTTMEN1KMT2A
SCHEMBL500101 0.84 HTR2A (0.33) SLC5A2SLC5A1MAPK1HTR2ASLC6A4
SCHEMBL14248446 0.81 SLC5A2 (0.44) SLC5A2SLC5A1HTTMEN1KMT2A
SCHEMBL12407963 0.80 HPGD (0.36) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL1978687 0.80 TAAR1 (0.42) MEN1KMT2AATMHTR2AHPGD
SCHEMBL499758 0.79 HTR2A (0.32) SLC5A2SLC5A1MAPK1HTR2ASLC6A4
SCHEMBL21427663 0.77 HTT (0.40) SLC5A2SLC5A1HTTMEN1KMT2A
SCHEMBL1981289 0.77 SLC5A1 (0.33) SLC5A2SLC5A1HTTHPGDALDH1A1
SCHEMBL499800 0.76 SLC5A2 (0.48) SLC5A2SLC5A1HTTKMT2AMAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
WO-2011070592-A2 NOVEL SUGAR DERIVATIVES PANACEA BIOTEC LTD. (IN) 2011-06-16 WO disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
EP-2187742-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2010-05-26 EP disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 WO disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 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-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885HTT 1097/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885HTT 1097/4885

“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.