SCHEMBL13607458

SCHEMBL13607458

COC(=O)Cc1cccnc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
PKM P14618 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
APOBEC3G Q9HC16 1/20 0.43
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
LTA4H P09960 1/20 0.42
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL27803914 0.85 MAPT (0.48) HSP90AA1PKML3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28880679 0.83 KDM4E (0.54) HSP90AA1KDM4ETSHRPOLBMAPT
SCHEMBL18481212 0.81 MAPT (0.42) PKML3MBTL1KDM4EALDH1A1APOBEC3G
SCHEMBL24051897 0.81 MTNR1A (0.49) HSP90AA1L3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL971350 0.80 L3MBTL1 (0.50) HSP90AA1PKML3MBTL1KDM4EALDH1A1
SCHEMBL28023498 0.79 HSP90AA1 (0.46) HSP90AA1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL4126633 0.78 P2RX7 (0.45) HSP90AA1PKMKDM4EALDH1A1RAB9A
SCHEMBL18512291 0.78 SLC13A5 (0.50) PKML3MBTL1KDM4ERAB9ALMNA
SCHEMBL4500023 0.78 L3MBTL1 (0.60) HSP90AA1PKML3MBTL1KDM4EALDH1A1
SCHEMBL3946071 0.77 PPIA (0.52) LTA4H

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-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 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-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 HSP90AA1 665/4885PKM 3383/4885L3MBTL1 2309/4885

“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.