SCHEMBL14740356

SCHEMBL14740356

Cc1ccc2ccccc2[n+]1C(I)CCCCCCCCC(I)[n+]1c(C)ccc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
BCHE P06276 12/20 0.36
ACHE P22303 12/20 0.36
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2331358 0.82 BCHE (0.39) BCHEACHE
SCHEMBL2335924 0.74 PRKCA (0.55) KDM4EALDH1A1ACHEMEN1NPC1
SCHEMBL2332858 0.72 BCHE (0.46) BCHEACHE
SCHEMBL2336825 0.69 ACHE (0.37) BCHEACHEKMT2A
Iodide SCHEMBL14740354 0.67 ALDH1A1 (0.65) KDM4EALDH1A1GAAHPGDBCHE
SCHEMBL26227732 0.66 KDM4E (0.40) KDM4EALDH1A1GAAHPGDBCHE
SCHEMBL25491227 0.66 KDM4E (0.40) KDM4EALDH1A1GAAHPGDBCHE
SCHEMBL9011152 0.66 KDM4E (0.42) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL9935123 0.65 ALDH1A1 (0.54) KDM4EALDH1A1GAAHPGDBCHE
SCHEMBL16859490 0.65 ATM (0.47) KDM4EMEN1RGS12NPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity WASHINGTON UNIVERSITY (US) 2025-03-11 US disclosed
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-9550991-B2 Transcription factor decoys PROCARTA BIOSYSTEMS LTD. (GB) 2017-01-24 US disclosed
US-20150196652-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2015-07-16 US disclosed
US-9024005-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD (GB) 2015-05-05 US disclosed
US-20140274800-A1 TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE PROCARTA BIOSYSTEMS LTD. (GB) 2014-09-18 US disclosed
US-20130252881-A1 Transcription Factor Decoys PROCARTA BIOSYSTEMS LTD. (GB) 2013-09-26 US disclosed
US-20130059775-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2013-03-07 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 (5 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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP KDM4E 3114/4885ALDH1A1 2853/4885GAA 491/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP KDM4E 3114/4885ALDH1A1 2853/4885GAA 491/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP KDM4E 3114/4885ALDH1A1 2853/4885GAA 491/4885
US-20150196652-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA KDM4E 1904/4885ALDH1A1 4321/4885GAA 4329/4885
US-20130059775-A1 Nucleic Acid Complexes ZFR, SUB1, RELA KDM4E 1904/4885ALDH1A1 4321/4885GAA 4329/4885

“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.