SCHEMBL1598073

SCHEMBL1598073

S=C1NCC(Cc2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5799426 0.84 TACR2 (0.40) ALDH1A1TDP1
SCHEMBL25365743 0.82 ALDH1A1 (0.36) MEN1KMT2APOLBALDH1A1
SCHEMBL25366852 0.82 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL25367156 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL25367612 0.80 POLB (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL25365107 0.80 KMT2A (0.42) KMT2AALDH1A1
SCHEMBL25366451 0.80 NPC1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL25365104 0.80 KMT2A (0.42) KMT2AALDH1A1
SCHEMBL25366273 0.78 MAPK1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL25366278 0.78 MAPK1 (0.41) MEN1KMT2AALDH1A1

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 20 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 disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
EP-3947394-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-02-09 EP disclosed
CN-113939521-A Imidazoline derivatives as CXCR4 modulators 巴黎大学 2022-01-14 CN disclosed
WO-2020201096-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2020-10-08 WO disclosed
US-7919630-B2 Synthesis of imidazole 2-thiones via thiohydantoins ALLERGAN, INC. (US) 2011-04-05 US disclosed
US-7919630-B2 Synthesis of imidazole 2-thiones via thiohydantoins ALLERGAN, INC. (US) 2011-04-05 US disclosed
US-7919630-B2 Synthesis of imidazole 2-thiones via thiohydantoins ALLERGAN, INC. (US) 2011-04-05 US disclosed
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. 2007-08-30 US disclosed
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. 2007-08-30 US disclosed
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. 2007-08-30 US disclosed
WO-2007041048-A2 SYNTHESIS OF IMIDAZOLE-2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. (US) 2007-04-12 WO disclosed
WO-2007041048-A2 SYNTHESIS OF IMIDAZOLE-2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. (US) 2007-04-12 WO disclosed
US-7115748-B2 Method of making imidazole-2-thiones ALLERGAN, INC. (US) 2006-10-03 US disclosed
WO-2006062890-A1 METHOD OF MAKING IMIDAZOLE-2-THIONES ALLERGAN, INC. (US) 2006-06-15 WO disclosed
US-20060122400-A1 Method of making imidazole-2-thiones ALLERGAN, INC. 2006-06-08 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 (4 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-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCL12, CXCR1 MEN1 4426/4885KMT2A 4415/4885POLB 3550/4885
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS TPMT, NISCH, IMPDH2 MEN1 326/4885KMT2A 170/4885POLB 3768/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 MEN1 4670/4885KMT2A 4150/4885POLB 2906/4885
US-20060122400-A1 Method of making imidazole-2-thiones TST, INMT, TPMT MEN1 1081/4885KMT2A 652/4885POLB 708/4885

“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.