SCHEMBL13283028

SCHEMBL13283028

O=C(CO)CSc1nc2ccccc2c(=O)n1NC(=O)CC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.55
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ GAA P10253 1/20 0.53
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ IGSF11 Q5DX21 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HIF1A Q16665 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL13282918 0.89 NPSR1 (0.56) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13283020 0.84 ALDH1A1 (0.66) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13282910 0.82 L3MBTL1 (0.55) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13283021 0.82 MAPT (0.63) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13283027 0.82 NPSR1 (0.53) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13283029 0.82 RAB9A (0.60) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13282912 0.79 L3MBTL1 (0.65) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13101622 0.77 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13102048 0.77 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13101608 0.77 GAA (0.55) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2

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 560/4885NPC1 921/4885

“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.

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