SCHEMBL12852212

SCHEMBL12852212

CC(=O)NCc1cnc(N)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 5/20 0.45
▸ MAOB P27338 2/20 0.44
▸ QPCT Q16769 1/20 0.41
▸ QPCTL Q9NXS2 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNA6 P17658 1/20 0.36
▸ KCNA3 P22001 1/20 0.36

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
SCHEMBL3696353 0.85 QPCT (0.55) AOC3MAOBQPCTQPCTLKDM4E
SCHEMBL28792657 0.71 EGFR (0.42) AOC3MAOBKDM4EALDH1A1HSD17B10
SCHEMBL8225111 0.71 AOC3 (0.50) AOC3MAOBKDM4EALDH1A1MAPT
SCHEMBL17252910 0.68 NPSR1 (0.42) QPCTQPCTLNPSR1KDM4EALDH1A1
SCHEMBL16136337 0.68 QPCT (0.70) QPCTQPCTLNPSR1KDM4EMEN1
SCHEMBL16136259 0.67 KDM4E (0.45) QPCTQPCTLNPSR1KDM4EALDH1A1
SCHEMBL9481215 0.66 ALDH1A1 (0.47) NPSR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL30940509 0.66 GABRP (0.54) NPSR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL13095827 0.66 SLC7A5 (0.54) AOC3NPSR1KDM4EMEN1ALDH1A1
SCHEMBL14589049 0.66 GABRP (0.54) NPSR1KDM4EMEN1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — US disclosed
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 — — 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-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC3 84/4885MAOB 215/4885QPCT 4087/4885

“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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