SCHEMBL26885158

SCHEMBL26885158

CC(C)NC(=O)c1cccc2c(O)cc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ LMNA P02545 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KCNMA1 Q12791 4/20 0.42
▸ GLA P06280 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL26885168 0.81 LMNA (0.48) KMT2AMEN1SMN1; SMN2HTTCYP3A4
SCHEMBL26885156 0.81 LMNA (0.53) KMT2AMEN1SMN1; SMN2HTTCYP3A4
SCHEMBL26885067 0.80 ALOX5 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL26885154 0.78 LMNA (0.56) KMT2AMEN1SMN1; SMN2HTTCYP3A4
SCHEMBL26890239 0.77 ALOX5 (0.44) HTTLMNAALOX5ALDH1A1NPSR1
SCHEMBL26885161 0.77 LMNA (0.49) KMT2AMEN1SMN1; SMN2LMNAALOX5
SCHEMBL26886688 0.76 FTO (0.47) LMNAPOLBALOX5ALDH1A1NPSR1
SCHEMBL26886013 0.75 PRMT1 (0.43) LMNAALOX5ALDH1A1NPSR1
SCHEMBL26885113 0.74 KMT2A (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL26885183 0.74 LMNA (0.49) KMT2AMEN1SMN1; SMN2HTTLMNA

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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 KMT2A 4436/4885MEN1 4001/4885SMN1; SMN2 4878/4885

“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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