SCHEMBL25364232

SCHEMBL25364232

C1CCCN(CCSC2=NCCCCN2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL25368321 1.00 ALOX15 (0.41) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25366918 0.98 ALDH1A1 (0.41) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25369656 0.97 ALOX15 (0.43) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25366474 0.97 ALOX15 (0.43) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25366774 0.95 ALDH1A1 (0.42) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25365389 0.91 DRD2 (0.40) GAALMNAKMT2AALDH1A1MEN1
SCHEMBL25365660 0.91 DRD2 (0.40) GAALMNAKMT2AALDH1A1MEN1
SCHEMBL22498087 0.90 ALDH1A1 (0.49) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL10725688 0.90 ALDH1A1 (0.49) ALOX15GAALMNAKMT2AALDH1A1
SCHEMBL25366300 0.90 HRH3 (0.39) KMT2AALDH1A1MEN1KDM4EHRH3

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
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 — — US claimed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 — — EP claimed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 — — WO claimed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 — — US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 — — EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 — — 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 ALOX15 3070/4885GAA 3984/4885LMNA 4640/4885

“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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