SCHEMBL3377559

SCHEMBL3377559

O=C(Cc1ccccc1)Nn1c(S)nc2cc(F)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CASR P41180 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLA2G2A P14555 2/20 0.40
GALR3 O60755 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3378112 0.92 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13255259 0.87 ALDH1A1 (0.64) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102388 0.87 ALDH1A1 (0.61) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101645 0.85 NPSR1 (0.50) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL14539542 0.85 NPSR1 (0.50) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101644 0.85 ALDH1A1 (0.49) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102441 0.85 NPSR1 (0.48) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL3379725 0.84 NPSR1 (0.57) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102372 0.84 ALDH1A1 (0.53) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102313 0.83 ALDH1A1 (0.50) ALDH1A1HTTNPSR1LMNARAB9A

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
EP-1585522-B1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2010-11-17 EP disclosed
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-07-29 US disclosed
US-20040198724-A1 Quinazolinones as potassium channel modulators ICAGEN, INC. 2004-10-07 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 (2 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-20040198724-A1 Quinazolinones as potassium channel modulators KCNQ1, KCNK17, KCNQ2 ALDH1A1 2776/4885HTT 517/4885NPSR1 1722/4885
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS KCNQ1, KCNK17, KCNQ2 ALDH1A1 2776/4885HTT 517/4885NPSR1 1722/4885

“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.