SCHEMBL6404580

SCHEMBL6404580

CC1CC(=O)NN=C1c1cccc(NC(=O)Nc2ccc(F)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 1/20 0.53
PDE3B Q13370 10/20 0.51
PDE3A Q14432 10/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6401367 0.86 PDE3B (0.55) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL5569294 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL16157009 0.78 PDE3B (0.76) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL5681167 0.74 PDE3B (0.56) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL11289838 0.73 PDE3B (0.55) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL16157204 0.72 PDE3B (0.61) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL31117000 0.72 PDE3B (0.61) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1143156 0.71 ACHE (0.72) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL16157001 0.71 PDE3B (0.77) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL10741604 0.71 PDE3B (0.77) SMN1; SMN2PDE3BPDE3AKDM4EALDH1A1

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-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK SMN1; SMN2 4713/4885GAA 1598/4885PDE3B 1587/4885

“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.