SCHEMBL21636718

SCHEMBL21636718

Brc1cccc(OCCCN2CCOCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
HTR2A P28223 1/20 0.58
SCN1A P35498 1/20 0.58
HTR2B P41595 1/20 0.58
KCNH2 Q12809 1/20 0.58
SCN2A Q99250 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SCN3A Q9NY46 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58

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
SCHEMBL3657047 0.93 KDM4E (0.64) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL17980809 0.91 TSHR (0.73) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL24862351 0.88 KDM4E (0.65) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL4562977 0.84 SMN1; SMN2 (0.50) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL29508224 0.83 ALDH1A1 (0.78) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL2230279 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL29508184 0.83 ALDH1A1 (0.81) KDM4EALDH1A1HTTKMT2ATSHR
SCHEMBL4124442 0.83 KDM4E (0.74) KDM4EALDH1A1HTTKMT2ATSHR
SCHEMBL14494721 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL15301024 0.82 TSHR (0.83) KDM4EALDH1A1TSHRSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360085-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC (US) 2024-10-31 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
CN-112424194-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-02-06 CN disclosed
US-20220363648-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC 2022-11-17 US disclosed
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-09-30 US disclosed
CN-112424194-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-02-26 CN disclosed
WO-2020015717-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-23 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 (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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 KDM4E 2325/4885ALDH1A1 1422/4885HTT 261/4885
US-20220363648-A1 Glucose Uptake Inhibitors SLC2A1, SLC2A4, SLC2A2 KDM4E 2325/4885ALDH1A1 1422/4885HTT 261/4885
US-20240360085-A1 Glucose Uptake Inhibitors SLC2A3, SLC2A1, SLC2A4 KDM4E 2173/4885ALDH1A1 1565/4885HTT 251/4885
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP KDM4E 3615/4885ALDH1A1 658/4885HTT 4119/4885

“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.