SCHEMBL29946192

SCHEMBL29946192

O=C(O)c1cccc(-c2cn(-c3ccc(-c4ccccc4)cc3)nn2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.76
ORAI1 Q96D31 8/20 0.76
LDHA P00338 2/20 0.64
KEAP1 Q14145 2/20 0.63
NFE2L2 Q16236 2/20 0.63
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
OGT O15294 2/20 0.60
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
P2RY14 Q15391 3/20 0.56
OPRD1 P41143 1/20 0.56
SIGMAR1 Q99720 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
SCHEMBL26628304 1.00 STIM1 (0.76) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946172 0.91 STIM1 (0.72) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628316 0.91 STIM1 (0.72) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946136 0.90 KEAP1 (0.69) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628305 0.90 KEAP1 (0.69) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628324 0.89 STIM1 (0.66) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26803794 0.89 STIM1 (0.69) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946232 0.89 STIM1 (0.66) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL21122080 0.89 STIM1 (0.65) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946160 0.87 STIM1 (1.00) STIM1ORAI1LDHAKEAP1NFE2L2

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
EP-4106871-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF Università degli Studi del Piemonte Orientale "Amedeo Avogadro" (IT) 2022-12-28 EP claimed
CN-115243765-A Biphenyl compounds as SOCE modulators, compositions and uses thereof 皮埃蒙特阿米阿伏伽德罗东方大学 2022-10-25 CN claimed
US-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2023-11-02 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-20230348404-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF ORAI1, SARAF, STIM1 STIM1 3/4885ORAI1 1/4885LDHA 4257/4885

“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.