SCHEMBL103530

SCHEMBL103530

ClCc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
LMNA P02545 2/20 0.76
ALDH1A1 P00352 4/20 0.66
CYP2C19 P33261 4/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2D6 P10635 2/20 0.66
TP53 P04637 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 1/20 0.64
TNF P01375 1/20 0.63
PDE6D O43924 1/20 0.61
ALDH2 P05091 1/20 0.61
ALDH3A1 P30838 1/20 0.61
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CFTR P13569 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
Hydrochloric Acid SCHEMBL10353601 0.98 MEN1 (0.97) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL95065 0.89 MEN1 (0.79) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL229324 0.88 MEN1 (0.78) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL228889 0.88 LMNA (0.90) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL11746981 0.87 MEN1 (0.77) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL102779 0.87 MEN1 (0.77) MEN1KMT2ALMNAMAPT
SCHEMBL10353116 0.87 KMT2A (0.76) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL15685952 0.86 LMNA (1.00) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL10353543 0.85 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL10877748 0.85 MEN1 (0.73) MEN1KMT2ALMNAALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507246-B Benzimidazole substituted amino phenol oxygen zinc halide, and preparation method and application thereof 华东理工大学 2024-09-24 CN disclosed
CN-109879810-B Imidazole ring substituted aminophenol oxygen radical zinc complex and preparation method and application thereof 华东理工大学 2022-10-28 CN disclosed
CN-114507246-A Benzimidazole substituted aminophenoxy zinc halide and preparation method and application thereof 华东理工大学 2022-05-17 CN disclosed
CN-109879810-A A kind of cyclosubstituted amino phenols oxygroup zinc complex of imidazoles and its preparation method and application 华东理工大学 2019-06-14 CN disclosed
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
EP-0252507-B1 2-(4-PYRIDYLAMINOMETHYL)-BENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Maruishi Seiyaku Kabushiki Kaisha (JP) 1990-10-10 EP disclosed
US-4818761-A VIRICIDES FOR COMMON COLD, HEPATITIS, POLIOMYELITIS MARUISHI SEIYAKU KABUSHIKI KAISHA (JP) 1989-04-04 US disclosed
EP-0252507-A1 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity Maruishi Seiyaku Kabushiki Kaisha (JP) 1988-01-13 EP disclosed
EP-0010063-B1 PROCESS FOR THE PREPARATION OF FURANYL-BENZAZOLES CIBA-GEIGY AG (CH) 1982-12-29 EP disclosed
EP-0010063-A2 Process for the preparation of furanyl-benzazoles CIBA-GEIGY AG (CH) 1980-04-16 EP 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 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 3565/4885KMT2A 1833/4885LMNA 4715/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885

“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.