SCHEMBL20989157

SCHEMBL20989157

O=C(COc1ccccc1C1CC(c2ccccc2)=NN1C(=O)c1ccccc1)NCCO

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ PKM P14618 3/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL28346042 0.77 MAOB (0.52) NPSR1CA1CA2MEN1KMT2A
SCHEMBL28346645 0.77 MAOB (0.60) KDM4EMEN1KMT2ALMNAPTGS2
SCHEMBL28343226 0.74 MAOB (0.64) MEN1KMT2ALMNAPTGS2PKM
SCHEMBL28343220 0.73 MAOB (0.59) SMN1; SMN2MAPTALDH1A1CA1CA2
SCHEMBL20988845 0.71 KDM4E (0.65) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL14540795 0.71 NPSR1 (0.73) NPSR1SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL2480894 0.71 CA1 (0.75) NPSR1ALDH1A1CA1CA2KDM4E
SCHEMBL14132763 0.70 MAPT (1.00) NPSR1SMN1; SMN2MAPTALDH1A1CA1
SCHEMBL28016088 0.68 CACNA1H (0.84) NPSR1ALDH1A1CA1CA2KDM4E
SCHEMBL13576118 0.68 MEN1 (0.51) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 — — 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS NPSR1 2556/4885SMN1; SMN2 4615/4885MAPT 4750/4885

“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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