SCHEMBL21648446

SCHEMBL21648446

CCC(CC)CNCCCNCCCNCc1ccc(-c2cc(-c3ccc(CNCCCNCCCNCC(CC)CC)cc3)cc(C(C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HDAC3 O15379 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40
▸ HDAC5 Q9UQL6 4/20 0.40
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ RXRG P48443 2/20 0.38
▸ CHRM2 P08172 4/20 0.37
▸ CXCR4 P61073 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
Hydrochloric Acid SCHEMBL29692496 0.99 HRH4 (0.44) HRH4HRH3HDAC3HDAC4HDAC1
SCHEMBL21648324 0.89 HRH4 (0.44) HRH4HRH3HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL29692460 0.88 HRH4 (0.43) HRH4HRH3HDAC3HDAC4HDAC1
SCHEMBL21648487 0.87 HRH4 (0.44) HRH4HRH3HDAC3HDAC4HDAC1
SCHEMBL21648323 0.87 BCHE (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL29692502 0.86 HRH4 (0.43) HRH4HRH3HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL29692596 0.86 BCHE (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21648322 0.84 HRH4 (0.50) HRH4HRH3HDAC1CHRM2CXCR4
SCHEMBL21632590 0.84 RXRA (0.35) RXRARXRBRXRG
Hydrochloric Acid SCHEMBL29692770 0.83 HRH4 (0.49) HRH4HRH3HDAC1CHRM2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606344-B1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE CURZA GLOBAL LLC (US) 2022-08-17 — — EP disclosed
US-11352315-B2 Compositions and methods comprising a triaryl polyamine CURZA GLOBAL, LLC (US) 2022-06-07 — — US disclosed
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE CURZA GLOBAL, LLC (US) 2020-01-30 — — 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 (2 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-11352315-B2 Compositions and methods comprising a triaryl polyamine SRM, PARG, PARN HRH4 2152/4885HRH3 618/4885HDAC3 426/4885
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE SRM, PARG, PARN HRH4 2152/4885HRH3 618/4885HDAC3 426/4885

“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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