SCHEMBL26643180

SCHEMBL26643180

CN1CCN(CCNC(=N)CCNC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HRAS P01112 6/20 0.48
ESR1 P03372 6/20 0.48
ESR2 Q92731 6/20 0.48
TOP1 P11387 2/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL31516482 0.92 HRAS (0.46) ALDH1A1HRASESR1ESR2TOP1
SCHEMBL26643327 0.88 HRAS (0.53) HRASESR1ESR2TOP1POLB
SCHEMBL26643379 0.86 HRAS (0.50) ALDH1A1HRASESR1ESR2TOP1
SCHEMBL26643173 0.86 HRAS (0.50) ALDH1A1HRASESR1ESR2TOP1
SCHEMBL26643222 0.86 HRAS (0.56) HRASESR1ESR2TOP1POLB
SCHEMBL26643161 0.85 HRAS (0.49) ALDH1A1HRASESR1ESR2TOP1
SCHEMBL26643427 0.84 HRAS (0.48) ALDH1A1HRASESR1ESR2TOP1
SCHEMBL2399965 0.84 LMNA (0.54) ALDH1A1POLBKMT2ASMN1; SMN2LMNA
SCHEMBL2398657 0.84 LMNA (0.54) ALDH1A1POLBKMT2ASMN1; SMN2LMNA
SCHEMBL26643272 0.84 HRAS (0.52) HRASESR1ESR2TOP1POLB

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
US-20250313546-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2025-10-09 US disclosed
EP-4522588-A1 NUCLEIC ACID BINDERS University of Strathclyde (GB) 2025-03-19 EP disclosed
WO-2023218194-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2023-11-16 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 (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-20250313546-A1 NUCLEIC ACID BINDERS ZFR, NSUN3, POLI ALDH1A1 3362/4885HRAS 830/4885ESR1 1271/4885

“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.