SCHEMBL5797442

SCHEMBL5797442

S=C1NCC(c2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.45
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PRCP P42785 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
NOS3 P29474 1/20 0.36

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
SCHEMBL25367907 0.80 NOS3 (0.40) NOS1ALDH1A1ALOX12KMT2AMAPT
SCHEMBL2199447 0.75 NOS1 (0.49) NOS1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL10041515 0.75 NOS1 (0.49) NOS1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL14251056 0.75 NOS1 (0.49) NOS1KDM4EMEN1KMT2AMAPT
SCHEMBL29746270 0.75 MEN1 (0.49) NOS1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14720366 0.75 MEN1 (0.49) NOS1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14720400 0.75 MEN1 (0.49) NOS1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22201133 0.71 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EPKMALOX12
SCHEMBL6170474 0.71 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EPKMALOX12
SCHEMBL11191557 0.69 ALDH1A1 (0.45) ALDH1A1HPGDRXFP1MEN1KMT2A

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 21 patents — showing the first 20. 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-7115748-B2 Method of making imidazole-2-thiones ALLERGAN, INC. (US) 2006-10-03 US disclosed
US-20060122400-A1 Method of making imidazole-2-thiones ALLERGAN, INC. 2006-06-08 US disclosed
US-4408072-A Amido methoxyethylamines AMERICAN CYANAMID COMPANY (US) 1983-10-04 US disclosed
US-4370482-A Synthesis of tetramisole, levamisole and their derivatives AMERICAN CYANAMID CO. (US) 1983-01-25 US disclosed
US-4316038-A 1-(2-Methoxyethyl)-2-methyl-4-phenyl-2-imidazoline AMERICAN CYANAMID COMPANY (US) 1982-02-16 US disclosed
US-4314066-A PREPARATION OF 1-(2-SUBSTITUTED ETHYL)-4-PHENYL-2-IMIDAZOLIDONES AND IMIDAZOLIDINE-2-THIONESC HYDROGENATION, CHIRAL CATALYST, HYDROLYSIS, SULFURIZATION AMERICAN CYANAMID CO. (US) 1982-02-02 US disclosed
US-4314079-A Novel methoxyethylamine AMERICAN CYANAMID COMPANY (US) 1982-02-02 US disclosed
US-4245102-A Processes for the preparation of tetramisole AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed
US-4245103-A Processes for the preparation of tetramisole AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed
US-4087611-A CHEMICAL INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 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 (3 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 NOS1 2543/4885ALDH1A1 2855/4885HPGD 1554/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 NOS1 1471/4885ALDH1A1 2260/4885HPGD 1484/4885
US-20060122400-A1 Method of making imidazole-2-thiones TST, INMT, TPMT NOS1 211/4885ALDH1A1 382/4885HPGD 413/4885

“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.