SCHEMBL21648486

SCHEMBL21648486

CCCCC(CC)CNCCCNCCCNCc1ccc(-c2cccc(-c3ccc(CNCCCNCCCNCC(CC)CCCC)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 3/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.36
CHRM2 P08172 1/20 0.36
CXCR4 P61073 1/20 0.36
BDKRB2 P30411 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 SCHEMBL29692538 0.99 HRH4 (0.50) HRH4HRH3ALDH1A1CYP3A4TSHR
SCHEMBL21648322 0.91 HRH4 (0.50) HRH4HRH3ALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL29692770 0.90 HRH4 (0.49) HRH4HRH3ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21632586 0.85 ALDH1A1 (0.39) HRH4HRH3ALDH1A1CYP3A4TSHR
SCHEMBL21648306 0.82 HRH4 (0.49) HRH4HRH3ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21648276 0.82 HRH4 (0.73) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29692563 0.81 HRH4 (0.48) HRH4HRH3ALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL29885842 0.80 HRH4 (0.71) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL21648277 0.80 HRH4 (0.49) HRH4HRH3ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4917701 0.80 ALDH1A1 (0.56) HRH4HRH3ALDH1A1CYP3A4TSHR

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 618/4885ALDH1A1 2854/4885
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE SRM, PARG, PARN HRH4 2152/4885HRH3 618/4885ALDH1A1 2854/4885

“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.