SCHEMBL13282916

SCHEMBL13282916

O=C(Cc1ccccc1)Nn1c(SCC2CC2)nc2cc(F)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
PDE7A Q13946 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL13282914 0.94 NPSR1 (0.48) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282988 0.88 NPSR1 (0.54) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282997 0.85 NPSR1 (0.58) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3379725 0.84 NPSR1 (0.57) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13283009 0.84 NPSR1 (0.57) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13101662 0.84 NPSR1 (0.47) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13283003 0.83 NPSR1 (0.56) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13282909 0.83 NPSR1 (0.55) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3380682 0.82 NPSR1 (0.56) NPSR1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13102313 0.82 ALDH1A1 (0.50) NPSR1RAB9ALMNAALDH1A1HTT

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 NPSR1 1722/4885RAB9A 560/4885CYP1A2 3034/4885

“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.