SCHEMBL26889396

SCHEMBL26889396

O=C(Nc1ccc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.79
NPC1 O15118 1/20 0.77
RAB9A P51151 1/20 0.77
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
NR1H4 Q96RI1 1/20 0.68
MMP3 P08254 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PLK1 P53350 1/20 0.59
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC1 Q13547 1/20 0.56
SMO Q99835 1/20 0.55
PLG P00747 2/20 0.55
KLK1 P06870 2/20 0.55
KLK6 Q92876 2/20 0.55

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
SCHEMBL26889400 0.92 DEGS1 (0.68) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL26886081 0.91 ALDH1A1 (0.68) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL31150345 0.89 DEGS1 (0.78) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL368228 0.89 DEGS1 (0.78) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL29519104 0.88 DEGS1 (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL7890743 0.88 DEGS1 (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL26886085 0.87 RAB9A (0.62) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL8133663 0.87 RAB9A (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL677505 0.87 DEGS1 (0.74) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL7835842 0.87 DEGS1 (0.74) DEGS1NPC1RAB9AMEN1KMT2A

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 DEGS1 4754/4885NPC1 72/4885RAB9A 1817/4885

“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.