SCHEMBL1147689

SCHEMBL1147689

O=S(=O)(Cl)C1=CNc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.41
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.30
DHODH Q02127 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL985114 0.69 ALOX5 (0.46) ALOX5GAAMAPTNPSR1TDP1
SCHEMBL9933931 0.68 ALOX5 (0.45) ALOX5GAAMAPTNPSR1TDP1
SCHEMBL5263865 0.68 ALOX5 (0.41) ALOX5GAAMAPTNPSR1HSD17B10
Hydrochloric Acid SCHEMBL5316041 0.68 ALOX5 (0.45) ALOX5GAAMAPTNPSR1TDP1
SCHEMBL3637187 0.67 ALOX5 (0.48) ALOX5GAAMAPTKDM4ENPSR1
SCHEMBL9934059 0.67 ALOX5 (0.48) ALOX5GAAMAPTKDM4ENPSR1
Phenoxazine SCHEMBL2957325 0.67 ALOX5 (0.74) ALOX5GAAMAPTKDM4ENPSR1
SCHEMBL9934328 0.67 ALOX5 (0.43) ALOX5GAAMAPTNPSR1MEN1
SCHEMBL5261512 0.67 ALOX5 (0.43) ALOX5GAAMAPTNPSR1TDP1
SCHEMBL9933935 0.67 ALOX5 (0.43) ALOX5GAAMAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 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 (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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 ALOX5 1134/4885GAA 276/4885MAPT 2777/4885

“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.