SCHEMBL14891658

SCHEMBL14891658

CCCCc1ccc(=O)n(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ CTRC Q99895 1/20 0.40
▸ SDHB P21912 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL14410400 0.83 FABP6 (0.51) FABP6ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL19068792 0.81 MAPT (0.49) FABP6ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL17232456 0.77 MAPT (0.51) FABP6ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL5197933 0.77 TYR (0.52) FABP6ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5442729 0.76 L3MBTL1 (0.47) FABP6ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL53919 0.75 KCNH2 (0.61) ALDH1A1SMN1; SMN2TP53POLBCYP3A4
SCHEMBL5195770 0.74 CYP11B1 (0.47) FABP6ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL18347225 0.74 KCNA3 (0.47) MAPTTP53POLBKMT2AKCNH2
SCHEMBL5197037 0.73 FABP6 (0.48) FABP6ALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL27614815 0.73 KCNH2 (0.59) ALDH1A1SMN1; SMN2TP53CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — 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 (1 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-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 FABP6 2682/4885ALDH1A1 2717/4885SMN1; SMN2 1675/4885

“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.

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