SCHEMBL21681925

SCHEMBL21681925

CC(=O)Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
MAPT P10636 5/20 0.68
NPC1 O15118 3/20 0.68
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 4/20 0.64
LDHA P00338 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60
POLB P06746 3/20 0.59
SCD O00767 2/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
HPGD P15428 2/20 0.57
HTT P42858 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL29532955 0.90 CASP3 (0.65) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL17251803 0.90 CASP3 (0.65) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL21682154 0.86 SCD (0.70) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL21681919 0.86 NPC1 (0.57) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL4923582 0.85 RAB9A (0.69) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL21681916 0.85 MAP3K5 (0.69) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL31398557 0.83 HSD17B10 (0.67) RAB9AMAPTNPC1SMN1; SMN2SCD
SCHEMBL18562683 0.83 RAB9A (0.71) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL14807588 0.83 TOP1 (0.74) RAB9ANPC1KDM4ESMN1; SMN2CASP3
SCHEMBL4912210 0.83 SCD (0.80) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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 4 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 claimed
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 claimed
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 RAB9A 1570/4885MAPT 4826/4885NPC1 3269/4885

“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.