Sugi Predict

Sugi Predict / Compounds / SCHEMBL103464

SCHEMBL103464

SCHEMBL103464

C#CCCn1nc2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL103655 0.79 GRM5 (0.39) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL102178 0.76 MEN1 (0.36) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL2494303 0.74 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL103133 0.68 — —
SCHEMBL102708 0.68 MAPT (0.33) MAPTKDM4EMAPK1
SCHEMBL11593744 0.68 TXNRD1 (0.47) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL11405699 0.68 PARP1 (0.52) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL11405449 0.67 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL27627287 0.65 SMN1; SMN2 (0.52) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL31580125 0.65 TDP1 (0.36) MEN1KMT2ANOS1NOS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 — — US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 — — US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 — — US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 — — US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 — — EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 — — US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 — — US 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TXNRD1 1503/4885TXNRD3 1144/4885TXNRD2 1106/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TXNRD1 1452/4885TXNRD3 1046/4885TXNRD2 993/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TXNRD1 1503/4885TXNRD3 1144/4885TXNRD2 1106/4885

“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.