SCHEMBL25399112

SCHEMBL25399112

O=CC(Br)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRIN2B Q13224 9/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 3/20 0.47
ENPP2 Q13822 1/20 0.47
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45

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
SCHEMBL27889773 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28787564 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2865352 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16224979 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31306331 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15991264 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6347651 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14514898 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL387622 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15140950 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-20240002401-A1 IMIDAZOTHIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO., LTD. (CN) 2024-01-04 US disclosed
CN-114507244-B Imidazo thiazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2023-10-27 CN disclosed
EP-4242211-A1 IMIDAZOTHIAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Guangzhou Henovcom Bioscience Co., Ltd. (CN) 2023-09-13 EP disclosed
WO-2022100727-A1 IMIDAZOTHIAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广州市恒诺康医药科技有限公司 2022-05-19 WO disclosed
CN-114507244-A Imidazothiazole compounds, pharmaceutical compositions thereof and uses thereof 广州市恒诺康医药科技有限公司 2022-05-17 CN disclosed
CN-103748087-A Indazole- and pyrrolopyridine-derivative and pharmaceutical use thereof DAINIPPON SUMITOMO PHARMA CO 2014-04-23 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-20240002401-A1 IMIDAZOTHIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ENPP2, TPX2, UACA SMN1; SMN2 697/4885NPC1 1940/4885RAB9A 1454/4885

“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.