SCHEMBL25221022

SCHEMBL25221022

NCCCCCN1CCN(C(=O)c2cccs2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ TSHR P16473 1/20 0.62
▸ KCNA5 P22460 10/20 0.59
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ GAA P10253 1/20 0.56

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
SCHEMBL6488673 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRKCNA5HTT
SCHEMBL13149677 0.81 ALDH1A1 (0.95) ALDH1A1KDM4ETSHRKCNA5HTT
SCHEMBL11293119 0.80 GAA (0.85) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL19834778 0.78 GAA (0.55) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL25215735 0.78 HRH2 (0.41) ALDH1A1KDM4EKCNA5
SCHEMBL2550320 0.78 SIGMAR1 (0.70) ALDH1A1KDM4EKCNA5
SCHEMBL12789840 0.77 HTT (0.68) ALDH1A1KDM4ETSHRKCNA5HTT
SCHEMBL6482607 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRKCNA5HTT
SCHEMBL6496563 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRKCNA5HTT
SCHEMBL10280045 0.77 GAA (0.74) ALDH1A1KDM4ETSHRHTTSMN1; SMN2

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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (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 (3 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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNMT ALDH1A1 1993/4885KDM4E 1661/4885TSHR 2781/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT ALDH1A1 1855/4885KDM4E 1773/4885TSHR 2827/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT ALDH1A1 1855/4885KDM4E 1773/4885TSHR 2827/4885

“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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