SCHEMBL4882263

SCHEMBL4882263

CCCCCCCCCC[n+]1c(C=Cc2c(O[Cl+3]([O-])([O-])[O-])ccc3ccccc23)ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
HTT P42858 7/20 0.42
MEN1 O00255 7/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 6/20 0.42
GAA P10253 6/20 0.42
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
RAD52 P43351 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL4883332 0.91 HTT (0.39) KMT2AHTTMEN1NPC1RAB9A
Perchlorate SCHEMBL4882254 0.84 KMT2A (0.44) KMT2AHTTMEN1NPC1RAB9A
Perchlorate SCHEMBL4882267 0.84 KMT2A (0.44) KMT2AHTTMEN1NPC1RAB9A
SCHEMBL4876073 0.80 KMT2A (0.49) KMT2AHTTMEN1NPC1RAB9A
SCHEMBL5267077 0.76 NPC1 (0.43) KMT2AHTTMEN1NPC1RAB9A
Perchlorate SCHEMBL4883333 0.76 ALDH1A1 (0.42) KMT2AHTTMEN1NPC1RAB9A
Perchlorate SCHEMBL4883324 0.76 ALDH1A1 (0.42) KMT2AHTTMEN1NPC1RAB9A
Perchlorate SCHEMBL4886019 0.74 KMT2A (0.42) KMT2AHTTMEN1NPC1RAB9A
Iodide SCHEMBL31237760 0.70 KMT2A (0.54) KMT2AHTTMEN1NPC1RAB9A
SCHEMBL10035998 0.69 MEN1 (0.72) KMT2AHTTMEN1NPC1RAB9A

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 944/4885HTT 2190/4885MEN1 721/4885

“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.