SCHEMBL25259072

SCHEMBL25259072

NCCCCCCC1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NAMPT P43490 5/20 0.52
ACHE P22303 1/20 0.48
FAAH O00519 1/20 0.47
CHRM1 P11229 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
EPHX1 P07099 1/20 0.45
L3MBTL3 Q96JM7 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
SCHEMBL25273235 1.00 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25236879 1.00 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13738562 0.99 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2552829 0.91 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13738644 0.88 NAMPT (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3284624 0.83 ACHE (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13740250 0.82 NAMPT (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25277190 0.82 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25284892 0.81 AKR1C3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25226897 0.81 AKR1C3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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 12 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
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 (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 HDAC3 103/4885HDAC4 491/4885HDAC1 108/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT HDAC3 103/4885HDAC4 513/4885HDAC1 115/4885
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT HDAC3 359/4885HDAC4 708/4885HDAC1 203/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT HDAC3 103/4885HDAC4 513/4885HDAC1 115/4885

“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.