SCHEMBL13363566

SCHEMBL13363566

O=CNc1ccc(N=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ TSHR P16473 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ PKM P14618 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL28766491 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10HTTTDP1LMNA
SCHEMBL469386 0.82 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRLMNAKMT2A
SCHEMBL14613454 0.77 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL9547630 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL28363418 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL11695263 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRHTTTDP1
SCHEMBL28257844 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL13525493 0.74 P2RY6 (0.45) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL234461 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4HTT
SCHEMBL9472659 0.72 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1

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-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 — — 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-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 ALDH1A1 3364/4885HSD17B10 4564/4885TSHR 3777/4885

“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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