SCHEMBL16480243

SCHEMBL16480243

COCCOc1cc(CCNc2ccc3c4c(cccc24)C(=O)N(CCNC(=O)CCC(NC(=O)c2ccc(NCc4cnc5nc(N)nc(O)c5n4)cc2)C(=O)O)C3=O)ccc1N1CCOc2cc(C)ccc2N2CCOCCOCCN(CCOCCOCC2)c2ccc(C)cc2OCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TYMS P04818 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC3 O15379 2/20 0.31

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
SCHEMBL16480261 0.79 HDAC6 (0.41) MEN1POLBTSHRKMT2ATDP1
SCHEMBL16480262 0.76 HDAC6 (0.42) MEN1POLBGAAKMT2ATDP1
SCHEMBL23964219 0.75 HDAC6 (0.48) MEN1ALDH1A1POLBGAATSHR
SCHEMBL16480266 0.73 MEN1 (0.42) MEN1ALDH1A1POLBGAAHPGD
SCHEMBL23775122 0.73 HDAC6 (0.46) MEN1ALDH1A1POLBGAATSHR
SCHEMBL16480252 0.73 MEN1 (0.41) MEN1ALDH1A1POLBTSHRKMT2A
SCHEMBL17234849 0.71 KDM4E (0.57) DHFRKDM4EMEN1ALDH1A1TYMS
SCHEMBL16480246 0.71 HDAC6 (0.38) MEN1POLBGAAKMT2ATDP1
SCHEMBL19849746 0.68 KDM4E (0.58) DHFRKDM4EMEN1ALDH1A1TYMS
SCHEMBL17231310 0.68 KDM4E (0.56) DHFRKDM4EMEN1ALDH1A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181375-B2 Fluorescent potassium ion sensors ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-10 US disclosed
US-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS Arizona Board of Regents, a body corporate of the State of Arizona Acting for and on behalf of Arizo (US) 2014-07-17 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 (1 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-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS KCNN1, KCNN2, KCNN3 DHFR 4772/4885KDM4E 2479/4885MEN1 878/4885

“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.