SCHEMBL5265677

SCHEMBL5265677

COc1cc2[c]cccc2nc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.44
ALOX15 P16050 1/20 0.40
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
IKBKB O14920 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.36
NQO2 P16083 1/20 0.36
DHODH Q02127 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
TLR8 Q9NR97 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL3574115 0.73 IKBKB (0.34) IRAK4CDK9DYRK1AIKBKBALDH1A1
SCHEMBL3345725 0.72 KDM4E (0.47) IKBKBALDH1A1KDM4EHPGDKMT2A
SCHEMBL17913473 0.69 KDM4E (0.44) IRAK4ALDH1A1MAPTKDM4EGLA
SCHEMBL20264856 0.68 GRM2 (0.42) ALDH1A1MAPTGAAGRM2
SCHEMBL3583877 0.68 DGAT1 (0.36) IKBKBALDH1A1MAPTKDM4ERAB9A
SCHEMBL11538213 0.67 CA12 (0.43) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL2386165 0.67 PDGFRB (0.43) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL5189809 0.66 HDAC6 (0.50) IKBKBALDH1A1MAPTKDM4EKMT2A
SCHEMBL16371793 0.66 SCN10A (0.59)
SCHEMBL4574335 0.66 TLR8 (0.58) ALDH1A1MAPTKDM4EGLAHPGD

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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B IRAK4 4485/4885ALOX15 3847/4885CDK9 1275/4885

“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.