SCHEMBL21947972

SCHEMBL21947972

COc1cc(CNC(=N)N)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 3/20 0.68
▸ F2 P00734 2/20 0.68
▸ F10 P00742 2/20 0.68
▸ PRSS1 P07477 2/20 0.68
▸ F7 P08709 2/20 0.68
▸ NPC1 O15118 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ BCHE P06276 2/20 0.60
▸ LMNA P02545 3/20 0.56
▸ MTNR1A P48039 2/20 0.56
▸ MTNR1B P49286 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53

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
Iodide SCHEMBL28570903 0.99 MRGPRX1 (0.67) MRGPRX1F2F10PRSS1F7
SCHEMBL1186351 0.86 ALDH1A1 (0.68) SMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL17894411 0.85 ALDH1A1 (0.59) MRGPRX1F2F10PRSS1F7
SCHEMBL6673419 0.83 BCHE (0.61) MRGPRX1F2F10PRSS1F7
SCHEMBL17894434 0.83 SMARCA2 (0.55) MRGPRX1F2F10PRSS1F7
SCHEMBL9416614 0.82 LMNA (0.73) MRGPRX1F2F10PRSS1F7
SCHEMBL9416664 0.81 NPC1 (0.69) NPC1PKMRAB9ABCHELMNA
SCHEMBL5525095 0.81 BCHE (0.64) MRGPRX1F2F10PRSS1F7
SCHEMBL3051565 0.81 LMNA (0.74) MRGPRX1F2F10PRSS1F7
SCHEMBL9416636 0.81 SMPD1 (0.70) MRGPRX1F2F10PRSS1F7

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-20220031666-A1 PPARo ACTIVATOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-02-03 — — US disclosed
WO-2020085393-A1 PPARδ ACTIVATOR 国立研究開発法人科学技術振興機構 2020-04-30 — — WO 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-20220031666-A1 PPARo ACTIVATOR PPARG, PPARD, PPARA MRGPRX1 2982/4885F2 4571/4885F10 4765/4885

“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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