SCHEMBL24409274

SCHEMBL24409274

Cc1cc(C)n(-c2ccc(C3OCCO3)cn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK10 P53779 1/20 0.36
SLC34A1 Q06495 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
SCHEMBL30630863 1.00 UBE2T (0.49) UBE2TSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL27083168 0.86 UBE2T (0.36) UBE2TSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL29972638 0.86 UBE2T (0.36) UBE2TSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL27082385 0.80 KDM5A (0.38) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL29973034 0.80 KDM5A (0.38) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL46302 0.77 UBE2T (0.60) UBE2TSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL24409152 0.74 DHODH (0.34)
SCHEMBL30630829 0.74 DHODH (0.34)
SCHEMBL28623789 0.74 NPBWR1 (0.31) ALDH1A1KMT2A
SCHEMBL24409241 0.71 KDM5A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327078-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-02 CN disclosed
CN-117263945-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-113316578-B Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-31 CN disclosed
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 US disclosed
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 US disclosed
EP-3929198-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-12-29 EP disclosed
CN-113316578-A Heterocyclic compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2021-08-27 CN 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 UBE2T 4058/4885SMN1; SMN2 2630/4885ALDH1A1 644/4885

“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.