SCHEMBL25642137

SCHEMBL25642137

NCCCCCCC1CCN(C(=O)c2cc3ccccc3o2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPT P10636 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ GRIN2B Q13224 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 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
SCHEMBL25642135 1.00 ALDH1A1 (0.58) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL25735211 0.80 NPC1 (0.47) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL25735167 0.80 NPC1 (0.47) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL25224053 0.80 PKM (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL25424661 0.80 PKM (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL25222194 0.80 PKM (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL25735180 0.79 ALDH1A1 (0.45) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL25273235 0.79 HDAC3 (0.55) RAB9ANPC1L3MBTL1CA12CA1
SCHEMBL25236879 0.79 HDAC3 (0.55) RAB9ANPC1L3MBTL1CA12CA1
SCHEMBL25259072 0.79 HDAC3 (0.55) RAB9ANPC1L3MBTL1CA12CA1

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 8 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-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-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 (4 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 1993/4885RAB9A 2846/4885HPGD 15/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT ALDH1A1 1855/4885RAB9A 2744/4885HPGD 14/4885
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT ALDH1A1 1525/4885RAB9A 3030/4885HPGD 84/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT ALDH1A1 1855/4885RAB9A 2744/4885HPGD 14/4885

“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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