SCHEMBL25235675

SCHEMBL25235675

[N-]=[N+]=NCCCCCC1CCN(C(=O)c2cccs2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ PABPC1 P11940 1/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19834819 0.92 GAA (0.49) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL25278094 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL25273247 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL25277190 0.82 HDAC3 (0.50) L3MBTL1
SCHEMBL25278785 0.77 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL25735232 0.75 ALDH1A1 (0.48) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL19834778 0.75 GAA (0.55) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL19834771 0.74 HDAC3 (0.59) L3MBTL1
SCHEMBL25735183 0.73 PABPC1 (0.45) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL25735184 0.73 PABPC1 (0.45) SMN1; SMN2MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332818-B Tetrahydropyrrole derivatives and their use 王喆明 2023-12-15 — — CN disclosed
CN-116332818-A Tetrahydropyrrole derivatives and their use 王喆明 2023-06-27 — — CN disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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 (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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT SMN1; SMN2 1560/4885MAPT 1410/4885NPC1 1650/4885

“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.

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