SCHEMBL686372

SCHEMBL686372

CC(c1ccccc1)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
MTOR P42345 1/20 0.45
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AOC3 Q16853 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL792296 0.93 ACHE (0.48) IDO1TDO2MTORSLC6A4SLC6A2
Ammonia Solution, Strong SCHEMBL6000669 0.91 ACHE (0.46) IDO1TDO2MTORSLC6A4SLC6A2
SCHEMBL25922472 0.89 DAO (0.42) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL16191280 0.86 ACHE (0.48) IDO1TDO2SLC6A4SLC6A2HDAC4
SCHEMBL23817077 0.84 IDO1 (0.50) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL2210935 0.84 TYR (0.47) KDM4E
SCHEMBL15429373 0.83 ACHE (0.61) IDO1TDO2HDAC4HDAC7HDAC5
Ammonia Solution, Strong SCHEMBL5998797 0.83 ROCK2 (0.41) IDO1TDO2SLC6A4SLC6A2HDAC4
SCHEMBL27969245 0.81 TAAR1 (0.51) IDO1TDO2SLC6A4SLC6A2AOC3
SCHEMBL17071841 0.79 NPC1 (0.47) SLC6A4NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
CN-104025364-B Organic bath and organic bath accumulator 吉坤日矿日石能源株式会社 2017-03-08 CN disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
US-20140370375-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-12-18 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
CN-104025364-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-09-03 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US 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 (3 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF IDO1 1319/4885TDO2 4111/4885MTOR 1588/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 IDO1 2828/4885TDO2 3591/4885MTOR 3897/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR IDO1 2555/4885TDO2 3618/4885MTOR 3795/4885

“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.