SCHEMBL24728859

SCHEMBL24728859

C#CCn1nc(C)cc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 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
SCHEMBL23138507 0.87 RAB9A (0.45) SMN1; SMN2POLBALDH1A1RAB9AMAPT
SCHEMBL19451723 0.83 ALDH1A1 (0.45) SMN1; SMN2POLBTDP1L3MBTL1ALDH1A1
SCHEMBL6188814 0.83 MAPT (0.52) SMN1; SMN2POLBTDP1ALDH1A1RAB9A
SCHEMBL18718147 0.80 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1ALDH1A1RAB9A
SCHEMBL18718164 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBTDP1L3MBTL1ALDH1A1
SCHEMBL1198071 0.79 LMNA (0.58) SMN1; SMN2POLBTDP1L3MBTL1ALDH1A1
SCHEMBL13170000 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBTDP1L3MBTL1ALDH1A1
SCHEMBL19617291 0.78 SMN1; SMN2 (0.43) SMN1; SMN2POLBTDP1ALDH1A1RAB9A
SCHEMBL23138330 0.78 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1ALDH1A1RAB9A
SCHEMBL2355085 0.78 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1ALDH1A1RAB9A

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-114981273-B Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国科学院上海药物研究所 2024-03-01 CN disclosed
US-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-12-08 US disclosed
CN-112521371-B Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2022-11-25 CN disclosed
CN-114981273-A Heterocyclic amide compound, pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国科学院上海药物研究所 2022-08-30 CN disclosed
EP-4032890-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-07-27 EP disclosed
CN-112521371-A Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2021-03-19 CN disclosed
CN-112521394-A Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2021-03-19 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-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF STING1, CGAS, MYD88 SMN1; SMN2 2965/4885POLB 3461/4885TDP1 952/4885

“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.