SCHEMBL4951999

SCHEMBL4951999

Cc1c(O)c(=O)ccn1CCCNCCCCNCCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM6A O15550 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM5C P41229 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.44
▸ DOHH Q9BU89 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ MAOB P27338 10/20 0.41
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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 SCHEMBL4952642 0.99 APP (0.48) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9515256 0.89 APP (0.53) APPHRH3KDM4ETP53CYP2D6
SCHEMBL3290957 0.87 APP (0.57) APPHRH3KDM4ETP53CYP2D6
SCHEMBL2511741 0.81 KDM4E (0.57) APPHRH3KDM4ETP53CYP2D6
Hydrochloric Acid SCHEMBL21523588 0.79 KDM4E (0.55) APPHRH3KDM4ETP53CYP2D6
SCHEMBL10359200 0.79 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9513592 0.79 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL15660704 0.79 KDM4E (0.60) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9512074 0.78 MAOB (0.48) APPHRH3KDM4ETP53CYP2D6
SCHEMBL12288571 0.77 KDM4E (0.50) APPHRH3KDM4ETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667727-B1 POLYAMINE-METAL CHELATOR CONJUGATES UNIV FLORIDA (US) 2008-07-09 — — EP disclosed
US-20080096974-A2 Polyamine-Metal Chelator Conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-04-24 — — US disclosed
US-20060211773-A1 Polyamine-metal chelator conjugates UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2006-09-21 — — US disclosed
EP-1667727-A2 POLYAMINE-METAL CHELATOR CONJUGATES University of Florida Research Foundation, Inc. (US) 2006-06-14 — — EP disclosed
WO-2005023310-A2 POLYAMINE-METAL CHELATOR CONJUGATES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-17 — — WO 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-20060211773-A1 Polyamine-metal chelator conjugates SLC40A1, SLC7A1, CATSPER1 APP 3633/4885HRH3 1123/4885KDM4E 2943/4885
US-20080096974-A2 Polyamine-Metal Chelator Conjugates SLC7A1, SLC40A1, SRM APP 2855/4885HRH3 760/4885KDM4E 2320/4885

“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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