SCHEMBL2530324

SCHEMBL2530324

O=C(Nc1cccc(Cl)c1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 1.00
HDAC6 Q9UBN7 1/20 1.00
KDR P35968 5/20 0.89
CES1 P23141 1/20 0.71
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
AHR P35869 1/20 0.68
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
THRB P10828 1/20 0.64

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
SCHEMBL29496401 1.00 GRM4 (1.00) GRM4HDAC6KDRCES1KCNK3
SCHEMBL7990375 0.90 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL29217373 0.87 GRM4 (0.77) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL28871718 0.86 GRM4 (0.76) GRM4HDAC6KDRCES1KCNK3
SCHEMBL27181366 0.86 GRM4 (0.74) GRM4HDAC6KDRCES1KCNK3
SCHEMBL30926458 0.86 GRM4 (0.74) GRM4HDAC6KDRCES1KCNK3
SCHEMBL4731965 0.85 GRM4 (0.74) GRM4HDAC6KDRAHRNPC1
SCHEMBL2528081 0.84 GRM4 (0.72) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL30926765 0.83 GRM4 (0.77) GRM4HDAC6KDRNPC1RAB9A
SCHEMBL27180433 0.83 GRM4 (0.77) GRM4HDAC6KDRNPC1RAB9A

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
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US claimed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US claimed
US-20220118117-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 4 MASSACHUSETTS GEN HOSPITAL (US) 2022-04-21 US disclosed
CN-112047879-B Method for selectively synthesizing halogenated arylamine by copper catalysis 浙江工业大学 2022-01-14 CN disclosed
CN-112047879-A Method for selectively synthesizing halogenated arylamine by copper catalysis 浙江工业大学 2020-12-08 CN disclosed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 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 (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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20220118117-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 4 GRM2, GRM4, GRM1 GRM4 2/4885HDAC6 2334/4885KDR 2713/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885KDR 4100/4885

“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.