SCHEMBL19293601

SCHEMBL19293601

COc1cc(-c2cc(C)c(=O)[nH]n2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
KMO O15229 1/20 0.46
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8476548 0.91 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL17446992 0.82 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1376033 0.81 GSK3A (0.63) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL17016688 0.75 MAPT (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1752841 0.74 ALPL (0.54) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22130300 0.74 ALPL (0.53) MAPTMEN1KMT2APDE3BPDE3A
SCHEMBL17016671 0.74 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL11396912 0.74 L3MBTL1 (0.58) MAPTGAATP53CYP1A2GSK3B
SCHEMBL1753098 0.74 ALPL (0.53) MAPTMEN1KMT2ATP53ALPL
SCHEMBL29295442 0.74 CA12 (0.56) MAPTMAPK1CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 PDE4A 2836/4885PDE4B 3398/4885PDE4C 3502/4885

“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.