SCHEMBL20577148

SCHEMBL20577148

O=[N+]([O-])c1cnc(N[C@H]2CCNC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BPTF Q12830 2/20 0.39
SYK P43405 2/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
BRD4 O60885 2/20 0.36
ATAD2 Q6PL18 2/20 0.36
IDH2 P48735 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL20577143 1.00 KCNH2 (0.40) KCNH2CTSLCTSBCTSSCTSK
SCHEMBL20577141 1.00 KCNH2 (0.40) KCNH2CTSLCTSBCTSSCTSK
SCHEMBL29224924 0.82 MAPT (0.46) CTSLCTSSCTSKMAPK1LMNA
SCHEMBL2145745 0.82 GAA (0.49) LMNAPOLBGAAMAPT
SCHEMBL2145739 0.82 GAA (0.49) LMNAPOLBGAAMAPT
Hydrochloric Acid SCHEMBL702771 0.81 GAA (0.48) LMNAPOLBGAAMAPT
Hydrochloric Acid SCHEMBL2145503 0.81 GAA (0.48) LMNAPOLBGAAMAPT
Hydrochloric Acid SCHEMBL702769 0.81 GAA (0.48) LMNAPOLBGAAMAPT
SCHEMBL27947891 0.80 MAPT (0.56) CTSLCTSBCTSSCTSKMAPK1
SCHEMBL20577266 0.76 SYK (0.44) KCNH2BPTFSYKMAPK3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 EP disclosed
CN-110869373-A Antibiotic resistance disruptors 伦敦皇家学院 2020-03-06 CN disclosed
WO-2018220365-A1 ANTIBIOTIC RESISTANCE BREAKERS KING'S COLLEGE LONDON (GB) 2018-12-06 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 KCNH2 3591/4885CTSL 155/4885CTSB 1887/4885

“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.