SCHEMBL4285132

SCHEMBL4285132

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR4 O95977 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 1/20 0.34
SRPK1 Q96SB4 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
SCHEMBL4288394 0.87 LMNA (0.39) NPSR1MAPTCD274HPGDLMNA
SCHEMBL4279659 0.87 SMN1; SMN2 (0.41) IRAK4TP53CD274HPGDALDH1A1
SCHEMBL4289272 0.87 CD274 (0.41) NPSR1MAPTCD274HPGDKDM4E
SCHEMBL4279964 0.85 TSHR (0.39) NPSR1MAPTCD274HPGDKDM4E
SCHEMBL4292790 0.84 RAB9A (0.44) NPSR1MAPTTP53HPGDKDM4E
SCHEMBL4282950 0.81 HPGD (0.45) MAPTHPGDKDM4ELMNAGAA
SCHEMBL4284325 0.81 CD274 (0.36) CD274
SCHEMBL4288424 0.81 CD274 (0.37) IRAK4MAPTCD274KDM4EALDH1A1
SCHEMBL4279726 0.81 HPGD (0.41) NPSR1MAPTCD274HPGDKDM4E
SCHEMBL4288766 0.80 CD274 (0.42) MAPTCD274HPGDLMNAGAA

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP IRAK4 415/4885NPSR1 4461/4885MAPT 868/4885

“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.