SCHEMBL22614958

SCHEMBL22614958

Fc1cc(F)c2nc(-c3ccc(Cl)cc3)c(I)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ GLA P06280 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33

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
SCHEMBL22627381 0.83 AKT1 (0.43) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL22615091 0.78 KDM4E (0.44) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL22615089 0.77 AKT1 (0.39) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL22615061 0.77 SLC2A3 (0.46) AKT1AKT2KDM4EGAAALDH1A1
SCHEMBL24516932 0.76 AKT1 (0.38) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL22615010 0.72 CYP11B1 (0.44) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL22615018 0.69 RAB9A (0.51) SMN1; SMN2KDM4EGAALMNAALDH1A1
SCHEMBL5739027 0.67 SMN1; SMN2 (0.45) AKT1AKT2SMN1; SMN2KDM4EALDH1A1
SCHEMBL22627539 0.64 KDM4E (0.44) AKT1AKT2SMN1; SMN2KDM4EGAA
SCHEMBL1349246 0.64 NPC1 (0.38) SMN1; SMN2KDM4EL3MBTL1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 — — EP disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
EP-3962915-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2022-03-09 — — EP disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 — — WO disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 — — 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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 AKT1 2762/4885AKT2 2602/4885SMN1; SMN2 4095/4885

“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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