SCHEMBL1544532

SCHEMBL1544532

Fc1cccc(-c2noc(CCl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ACLY P53396 1/20 0.51
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 8/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
GRM5 P41594 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.45
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPY5R Q15761 1/20 0.42

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
SCHEMBL24092055 0.84 TP53 (0.52) TP53ACLYRAB9ASMN1; SMN2TDP1
SCHEMBL22649461 0.84 NOTUM (0.54) TP53ACLYRAB9ASMN1; SMN2TDP1
SCHEMBL30566758 0.83 RAB9A (0.55) TP53RAB9ASMN1; SMN2TDP1MAPK1
SCHEMBL1544535 0.83 RAB9A (0.55) TP53RAB9ASMN1; SMN2TDP1MAPK1
SCHEMBL1544640 0.81 RAB9A (0.68) TP53RAB9ASMN1; SMN2TDP1MAPK1
SCHEMBL16635615 0.81 RAB9A (0.46) RAB9ASMN1; SMN2TDP1MAPK1KMT2A
SCHEMBL1544310 0.81 NOTUM (0.49) TP53RAB9ASMN1; SMN2TDP1MAPK1
SCHEMBL30566776 0.81 S1PR1 (0.57) TP53RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL2245424 0.81 S1PR1 (0.57) TP53RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL2107628 0.80 NPC1 (0.64) RAB9ASMN1; SMN2NPC1NOTUMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7790717-B2 administering 3-(4'-Morpholin-4-ylmethyl-biphenyl-4-ylmethyl)-1-oxa-3-aza-spiro[4.5]decan-2-one, for the treatment of schizophrenia ASTRAZENECA AB (SE) 2010-09-07 US disclosed
US-7790717-B2 administering 3-(4'-Morpholin-4-ylmethyl-biphenyl-4-ylmethyl)-1-oxa-3-aza-spiro[4.5]decan-2-one, for the treatment of schizophrenia ASTRAZENECA AB (SE) 2010-09-07 US disclosed
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
EP-2061775-A2 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS Astra Zeneca AB (SE) 2009-05-27 EP disclosed
US-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-05-14 US disclosed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 EP disclosed
CN-1533388-A Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CVҽҩ���޹�˾ 2004-09-29 CN disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 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 (5 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 TP53 2732/4885ACLY 615/4885RAB9A 1283/4885
US-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 TP53 4850/4885ACLY 896/4885RAB9A 2441/4885
US-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP TP53 3474/4885ACLY 220/4885RAB9A 1381/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP TP53 3474/4885ACLY 220/4885RAB9A 1381/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP TP53 3474/4885ACLY 220/4885RAB9A 1381/4885

“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.