SCHEMBL514236

SCHEMBL514236

Cc1cccc(-c2nc(CCl)no2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 9/20 0.57
GRM5 P41594 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 3/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NOTUM Q6P988 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL23986463 0.87 RAB9A (0.57) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL4106551 0.86 NOTUM (0.66) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL1545210 0.86 RAB9A (0.56) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL1544194 0.84 NPC1 (0.54) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL6216439 0.84 NPC1 (0.55) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL1544834 0.84 NPC1 (0.55) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL13046 0.83 RAB9A (0.56) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL1544481 0.83 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2HSD17B10TSHR
SCHEMBL12694 0.83 RAB9A (0.54) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL8230862 0.83 NOTUM (0.45) RAB9ANPC1SMN1; SMN2HSD17B10TSHR

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
US-20060063772-A1 New compounds ASTRAZENECA AB (SE) 2006-03-23 US claimed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP claimed
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-07-08 US claimed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 WO claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
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
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-07-08 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 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 (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 RAB9A 1283/4885NPC1 6/4885GRM5 2674/4885
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. GRM5, GRIK5, GRM1 RAB9A 1671/4885NPC1 1578/4885GRM5 1/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885GRM5 1/4885
US-20060063772-A1 New compounds NPY4R, RPS4X, P2RX4 RAB9A 1179/4885NPC1 524/4885GRM5 2022/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 RAB9A 2058/4885NPC1 4017/4885GRM5 2/4885

“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.