SCHEMBL3137500

SCHEMBL3137500

COc1ccc(C(=O)N2CCCC(c3nc(Oc4ccccc4)no3)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.66
▸ LMNA P02545 4/20 0.66
▸ TSHR P16473 4/20 0.66
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ HPGD P15428 2/20 0.63
▸ HIF1A Q16665 1/20 0.62
▸ HSD11B1 P28845 4/20 0.59
▸ GAA P10253 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HTT P42858 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3137493 1.00 ALDH1A1 (0.66) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4646170 0.91 HSD11B1 (0.60) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4646180 0.91 HSD11B1 (0.60) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4621790 0.91 ALDH1A1 (0.68) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4620646 0.89 GRM5 (0.67) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3137282 0.89 GRM5 (0.67) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3131589 0.89 HSD11B1 (0.72) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3131598 0.89 HSD11B1 (0.72) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3130688 0.89 L3MBTL1 (0.67) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3130701 0.89 L3MBTL1 (0.67) ALDH1A1LMNATSHRMEN1KMT2A

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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — US claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 — — 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 ALDH1A1 4618/4885LMNA 4830/4885TSHR 320/4885

“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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