SCHEMBL4921202

SCHEMBL4921202

NCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.60
▸ TAS1R1 Q7RTX1 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ DRD2 P14416 1/20 0.56
▸ PYGL P06737 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ IL2 P60568 1/20 0.51
▸ CCKBR P32239 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4920393 0.88 TAS1R3 (0.61) TAS1R3TAS1R1KDM4EGAAALDH1A1
SCHEMBL25244468 0.79 TAS1R3 (0.73) TAS1R3TAS1R1KDM4EGAAALDH1A1
SCHEMBL25286173 0.79 TAS1R3 (0.73) TAS1R3TAS1R1KDM4EGAAALDH1A1
SCHEMBL31081137 0.77 KDM4E (0.72) KDM4EGAAALDH1A1MAPK1DRD2
SCHEMBL721792 0.77 KDM4E (0.72) KDM4EGAAALDH1A1MAPK1DRD2
SCHEMBL20853657 0.77 TAS1R3 (0.78) TAS1R3TAS1R1GAADRD2PYGL
SCHEMBL25517392 0.77 TAS1R3 (0.78) TAS1R3TAS1R1GAADRD2PYGL
SCHEMBL25197064 0.77 TAS1R3 (0.78) TAS1R3TAS1R1GAADRD2PYGL
SCHEMBL4925693 0.77 DRD2 (0.56) TAS1R3TAS1R1KDM4EGAAALDH1A1
SCHEMBL6663347 0.76 TAS1R3 (0.76) TAS1R3TAS1R1KDM4EGAAALDH1A1

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 — — US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 — — 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 (2 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 TAS1R3 435/4885TAS1R1 255/4885KDM4E 1359/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 TAS1R3 419/4885TAS1R1 273/4885KDM4E 1265/4885

“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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