SCHEMBL22829330

SCHEMBL22829330

COC(=O)c1cc(C(=O)Nc2ccc3cc(-c4ccccc4C(F)(F)F)n(C(=O)O)c3n2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ RBP4 P02753 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL29890886 0.90 SCN10A (0.35) SCN10AALDH1A1SMN1; SMN2KDM4ENTRK1
SCHEMBL22829335 0.90 SCN10A (0.35) SCN10AALDH1A1SMN1; SMN2KDM4ENTRK1
SCHEMBL20455643 0.87 SMN1; SMN2 (0.36) SCN10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29890757 0.80 KIT (0.42) SCN10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL20455624 0.80 KIT (0.42) SCN10AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL15869822 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL29891733 0.73 KIT (0.43) SCN10ANTRK1MEN1KMT2AGRM5
SCHEMBL20455592 0.73 KIT (0.43) SCN10ANTRK1MEN1KMT2AGRM5
SCHEMBL20470686 0.72 KIT (0.42) SCN10ANTRK1MEN1KMT2AGRM5
SCHEMBL28796103 0.71 NR1H2 (0.34) ALDH1A1SMN1; SMN2KDM4ERBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 — — CN disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 — — US disclosed
EP-3577112-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 — — 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 (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-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 SCN10A 2910/4885ALDH1A1 341/4885SMN1; SMN2 4755/4885

“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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