SCHEMBL682486

SCHEMBL682486

FC(F)Oc1ccc(Br)cc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
SLC6A4 P31645 6/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
HTR6 P50406 3/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL131996 0.90 ALDH1A1 (0.43) MAPK1L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL30697962 0.88 PDE4B (0.46) MAPK1TDP1TSHRSLC6A4LMNA
SCHEMBL2410034 0.88 PDE4B (0.46) MAPK1TDP1TSHRSLC6A4LMNA
SCHEMBL873386 0.88 PDE4A (0.46) MAPK1L3MBTL1TDP1TSHRLMNA
SCHEMBL19458942 0.84 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL127226 0.83 SLC6A4 (0.48) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL3132506 0.83 TSHR (0.50) MAPK1ALDH1A1TSHRLMNAHPGD
SCHEMBL983555 0.83 GRIN2B (0.41) MAPK1L3MBTL1ALDH1A1TDP1SLC6A4
SCHEMBL29525099 0.83 GRIN2B (0.41) MAPK1L3MBTL1ALDH1A1TDP1SLC6A4
SCHEMBL246292 0.83 SLC6A4 (0.47) MAPK1L3MBTL1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
EP-1991533-A1 CHEMICAL COMPOUNDS Arrow Therapeutics Limited (GB) 2008-11-19 EP disclosed
US-20080267914-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2007042782-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2007-04-19 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D MAPK1 1160/4885L3MBTL1 3213/4885ALDH1A1 1228/4885
US-20080267914-A1 Chemical Compounds RNASEL, ZC3HAV1L, RNASEH1 MAPK1 1706/4885L3MBTL1 28/4885ALDH1A1 294/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D MAPK1 1160/4885L3MBTL1 3213/4885ALDH1A1 1228/4885

“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.