SCHEMBL22639959

SCHEMBL22639959

COc1ccc2nc(N3CCc4ccccc4C3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.64
▸ GFER P55789 1/20 0.64
▸ NPY5R Q15761 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ BACE1 P56817 3/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 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
SCHEMBL23771247 0.81 HDAC11 (0.63) MAPTMAPK1RAB9AHDAC6HDAC11
SCHEMBL1388203 0.78 KDM4E (0.57) NPSR1GFERKDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL8544651 0.77 KDM4E (0.56) NPSR1GFERKDM4EMAPTMAPK1
SCHEMBL5236875 0.74 GFER (0.51) NPSR1GFERNPY5RKDM4EMAPT
SCHEMBL6001989 0.73 GFER (0.62) NPSR1GFERNPY5RKDM4EMAPT
SCHEMBL11578200 0.73 ADRA1D (0.53) NPSR1GFERMAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL11576680 0.72 ADRA1D (0.52) NPSR1GFERMAPTMAPK1KMT2A
SCHEMBL28326141 0.72 MAPT (0.53) NPSR1KDM4EMAPTMAPK1RAB9A
SCHEMBL24229756 0.71 HDAC6 (0.56) HDAC6HDAC11
SCHEMBL30296979 0.71 DRD1 (0.56) KDM4EMAPTRAB9ANPC1DRD1

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 NPSR1 3173/4885GFER 4874/4885NPY5R 2663/4885

“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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