SCHEMBL13255259

SCHEMBL13255259

O=C(Cc1ccccc1)Nn1c(S)nc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HTT P42858 5/20 0.64
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 4/20 0.60
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3377559 0.87 ALDH1A1 (0.51) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101672 0.86 ALDH1A1 (0.79) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL6747607 0.84 ALDH1A1 (0.77) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL3378793 0.83 ALDH1A1 (0.47) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101609 0.82 LMNA (0.62) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102204 0.82 ALDH1A1 (0.61) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13102179 0.81 NPSR1 (0.58) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101642 0.81 ALDH1A1 (0.60) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL13101974 0.79 NPSR1 (0.59) ALDH1A1HTTNPSR1LMNARAB9A
SCHEMBL30794826 0.79 ALDH1A1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-07-29 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-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.