SCHEMBL26885156

SCHEMBL26885156

CC(C)NC(=O)c1cccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ WDR5 P61964 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ RORC P51449 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ CCR3 P51677 4/20 0.45
▸ MTNR1A P48039 1/20 0.45

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
SCHEMBL26885154 0.90 LMNA (0.56) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL26885158 0.81 KMT2A (0.47) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL26885062 0.79 MTNR1A (0.50) LMNAPOLBKMT2ACYP1A2NPC1
SCHEMBL4962039 0.79 MEN1 (0.52) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL27553611 0.79 PTPN1 (0.53) LMNAPOLBKMT2AMEN1CYP3A4
SCHEMBL27395497 0.78 ALOX15 (0.51) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL23909587 0.77 ALDH1A1 (0.54) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL13761375 0.77 LMNA (0.60) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL23909569 0.77 ALDH1A1 (0.53) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL26885768 0.77 MTNR1A (0.46) LMNAPOLBKMT2AMEN1CYP2C9

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 LMNA 2523/4885SMN1; SMN2 4878/4885POLB 2793/4885

“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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