SCHEMBL3397238

SCHEMBL3397238

O=C(Cl)c1cc(Br)cc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
NOTUM Q6P988 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
SCHEMBL913884 0.84 TPMT (0.35)
SCHEMBL2039219 0.84 PARP1 (0.38) PARP1POLBHCAR2CES2CES1
SCHEMBL985711 0.84 PARP1 (0.38) PARP1POLBHCAR2CES2CES1
SCHEMBL28699581 0.84 TPMT (0.35)
SCHEMBL200827 0.80 TPMT (0.48) POLBHCAR2
SCHEMBL29528960 0.80 TPMT (0.48) POLBHCAR2
SCHEMBL200586 0.78 CA5A (0.43) PARP1POLBHCAR2NOTUM
SCHEMBL5223135 0.78 PARP1 (0.50) PARP1POLB
SCHEMBL6133362 0.76 POLB (0.47) POLBHCAR2
SCHEMBL986020 0.76 TPMT (0.44) PARP1POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018148721-A1 HIGHLY SELECTIVE AKR1C3 INHIBITORS AND METHODS OF USE THEREOF TEXAS TECH UNIVERSITY SYSTEM (US) 2018-08-16 WO disclosed
EP-2246370-B1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-04-12 EP disclosed
US-8617722-B2 Polymer compound and organic electroluminescence element using the same SHOWA DENKO K.K. (JP) 2013-12-31 US disclosed
CN-102317328-A Polymer compound and organic electroluminescent element using the same SHOWA DENKO KK (JP) 2012-01-11 CN disclosed
US-20100327738-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME SHOWA DENKO K.K. (JP) 2010-12-30 US disclosed
EP-2246370-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SHOWA DENKO K.K. (JP) 2010-11-03 EP disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
CN-1805957-A Azetidine compounds ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PARP1 4043/4885POLB 3928/4885HCAR2 62/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PARP1 4043/4885POLB 3928/4885HCAR2 62/4885

“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.