SCHEMBL14740376

SCHEMBL14740376

Nc1cc[n+](C(I)CCCCC(I)[n+]2ccc(N)c3ccccc32)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.41
PRKCA P17252 6/20 0.36
MEN1 O00255 2/20 0.36
GMNN O75496 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
APEX1 P27695 2/20 0.36
THPO P40225 2/20 0.36
RECQL P46063 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL14738733 0.98 CHKA (0.40) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL14739219 0.98 CHKA (0.40) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL2329328 0.98 CHKA (0.40) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL14739176 0.97 CHKA (0.41) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL14739304 0.93 CHKA (0.43) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL14740487 0.87 CHKA (0.43) CHKAPRKCAMEN1GMNNALDH1A1
SCHEMBL2335924 0.70 PRKCA (0.55) PRKCAMEN1GMNNALDH1A1LMNA
SCHEMBL8912820 0.67 CHKA (0.58) CHKAACHE
SCHEMBL8908635 0.67 CHKA (0.58) CHKAACHE
SCHEMBL8907460 0.66 CHKA (0.57) CHKAACHE

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 8 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-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 CHKA 1743/4885PRKCA 2174/4885MEN1 3678/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP CHKA 1743/4885PRKCA 2174/4885MEN1 3678/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP CHKA 1743/4885PRKCA 2174/4885MEN1 3678/4885
US-20150196652-A1 NUCLEIC ACID COMPLEXES ZFR, SUB1, RELA CHKA 3864/4885PRKCA 4524/4885MEN1 4030/4885
US-20130059775-A1 Nucleic Acid Complexes ZFR, SUB1, RELA CHKA 3864/4885PRKCA 4524/4885MEN1 4030/4885

“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.