SCHEMBL4882619

SCHEMBL4882619

C[n+]1c(C=Cc2ccccc2O[Cl+3]([O-])([O-])[O-])ccc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
ACHE P22303 17/20 0.52
BCHE P06276 8/20 0.50
POLB P06746 4/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4887194 0.83 KMT2A (0.44) KMT2AMEN1ACHEBCHEPOLB
SCHEMBL4876073 0.81 KMT2A (0.49) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4882609 0.78 ACHE (0.58) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4882628 0.78 ACHE (0.58) KMT2AMEN1ACHEBCHEPOLB
Hydrochloric Acid SCHEMBL10347873 0.73 ACHE (0.59) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4881936 0.70 ACHE (0.48) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4881943 0.70 ACHE (0.48) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4883045 0.70 ACHE (0.48) KMT2AMEN1ACHEBCHEPOLB
Perchlorate SCHEMBL4883038 0.70 ACHE (0.48) KMT2AMEN1ACHEBCHEPOLB
SCHEMBL17068068 0.70 ACHE (0.67) KMT2AMEN1ACHEBCHEPOLB

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-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
EP-1841428-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES Immusol Incorporated (US) 2007-10-10 EP disclosed
WO-2006078754-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES IMMUSOL INCORPORATED (US) 2006-07-27 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-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS KMT2A 944/4885MEN1 721/4885ACHE 3641/4885

“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.