SCHEMBL5229568

SCHEMBL5229568

Cc1cc(F)cc(SC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 7/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.32
GFER P55789 1/20 0.31
RAPGEF4 Q8WZA2 3/20 0.31

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
SCHEMBL16707585 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL5229587 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL12954435 0.73 ACHE (0.37) ACHERAPGEF4
SCHEMBL18432757 0.71 ACHE (0.36) ALDH1A1ACHERAPGEF4
SCHEMBL16707560 0.70 ALDH1A1 (0.55) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL21474317 0.70 THRB (0.31) ALDH1A1MAPTHTTRAPGEF4
SCHEMBL14257328 0.68 HAO1 (0.43) ALDH1A1MAPTNPC1POLBACHE
SCHEMBL900702 0.68 TP53 (0.36) ALDH1A1SMN1; SMN2ACHERAPGEF4
SCHEMBL3392990 0.68 ACHE (0.46) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL12156 0.68

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 ALDH1A1 3466/4885MAPT 659/4885HTT 284/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 ALDH1A1 3466/4885MAPT 659/4885HTT 284/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 ALDH1A1 3466/4885MAPT 659/4885HTT 284/4885

“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.