SCHEMBL21709935

SCHEMBL21709935

Nc1nc2ccc(NC(=O)C3CCCCC3)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.71
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GFER P55789 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.54
CLK1 P49759 1/20 0.54
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
DYRK1A Q13627 1/20 0.51

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
SCHEMBL30136383 0.83 EPHX2 (1.00) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL24104687 0.83 EPHX2 (1.00) EPHX2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6093765 0.80 EPHX2 (0.58) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6092192 0.78 EPHX2 (0.56) EPHX2NPC1RAB9ALMNAALDH1A1
SCHEMBL24104135 0.78 EPHX2 (0.68) EPHX2NPC1RAB9AKMT2AGFER
SCHEMBL30136375 0.78 EPHX2 (0.68) EPHX2NPC1RAB9AKMT2AGFER
SCHEMBL11590224 0.78 LMNA (0.67) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL558100 0.77 LDHA (0.71) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL4253988 0.77 MAOA (0.65) NPC1RAB9AMEN1KMT2AGFER
SCHEMBL1743382 0.77 LMNA (0.52) NPC1RAB9AMEN1KMT2AGFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA EPHX2 809/4885NPC1 3269/4885RAB9A 1570/4885

“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.