SCHEMBL13779246

SCHEMBL13779246

CC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 5/20 1.00
PKM P14618 1/20 0.77
KDM4E B2RXH2 6/20 0.67
TP53 P04637 5/20 0.67
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 5/20 0.67
HPGD P15428 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MAPT P10636 9/20 0.65
POLB P06746 4/20 0.65
RXFP1 Q9HBX9 2/20 0.65
GAA P10253 2/20 0.64
USP2 O75604 1/20 0.62
ALOX15 P16050 1/20 0.62
PPARG P37231 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NR2E3 Q9Y5X4 1/20 0.62
NCOR2 Q9Y618 1/20 0.62

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
SCHEMBL2243410 0.81 KDM4E (0.76) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL2624544 0.81 SMN1; SMN2 (0.77) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL16384055 0.79 MAPT (0.70) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL13189376 0.79 RAB9A (0.66) RAB9ANPC1PKMKDM4ETP53
SCHEMBL10144065 0.79 MAPT (0.77) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL14591818 0.78 RAB9A (0.64) RAB9ANPC1PKMKDM4ETP53
SCHEMBL10279091 0.78 MAPT (0.75) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL23657588 0.78 MAPT (0.84) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL2624542 0.78 MAPT (1.00) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL5997449 0.78 MAPT (0.74) RAB9ANPC1KDM4ETP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE RAB9A 959/4885NPC1 1716/4885PKM 1458/4885

“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.