SCHEMBL4222255

SCHEMBL4222255

O=C(O)C=Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
DRD2 P14416 2/20 0.52
CCR3 P51677 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SCN1A P35498 2/20 0.47
SCN8A Q9UQD0 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
DRD4 P21917 1/20 0.46
JAK1 P23458 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 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
SCHEMBL4222248 1.00 SIGMAR1 (0.52) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4225135 0.91 SIGMAR1 (0.44) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4225127 0.91 SIGMAR1 (0.44) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL5169527 0.91 SIGMAR1 (0.44) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4215365 0.91 ROCK2 (0.47) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4215372 0.91 ROCK2 (0.47) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL4219271 0.91 CCR3 (0.52) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL4219285 0.91 CCR3 (0.52) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4222073 0.89 SCN1A (0.56) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4222078 0.89 SCN1A (0.56) SIGMAR1HTR2AHTR2CHTR2BDRD2

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-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 SIGMAR1 1585/4885HTR2A 621/4885HTR2C 1291/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIGMAR1 1514/4885HTR2A 436/4885HTR2C 847/4885

“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.