SCHEMBL5225196

SCHEMBL5225196

CCCOc1cc(C#N)cc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PLK1 P53350 1/20 0.43
LMNA P02545 1/20 0.39
MMP2 P08253 2/20 0.38
KAT6A Q92794 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MMP3 P08254 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5223955 0.90 PLA2G2A (0.61) PLA2G2AALDH1A1L3MBTL1TP53
SCHEMBL5229647 0.89 GPR35 (0.43) PLA2G2AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL5948994 0.87 KMT2A (0.53) PLA2G2AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL5225023 0.86 MAPT (0.48) PLA2G2AMAPTALDH1A1MMP2RAB9A
SCHEMBL5224719 0.86 PLA2G2A (0.64) PLA2G2AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL5222156 0.83 MAPT (0.50) PLA2G2AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL4276392 0.80 P4HB (0.43) MAPTALDH1A1RAB9AGPR35
SCHEMBL5225544 0.79 MAPT (0.37) MAPTALDH1A1KMT2AL3MBTL1KAT6A
SCHEMBL31661127 0.79 PLA2G2A (0.73) PLA2G2ATP53
SCHEMBL28772985 0.79 PLA2G2A (0.73) PLA2G2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US 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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885MAPT 659/4885ALDH1A1 3466/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885MAPT 659/4885ALDH1A1 3466/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885MAPT 659/4885ALDH1A1 3466/4885

“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.