SCHEMBL4289272

SCHEMBL4289272

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 4/20 0.34
CTSB P07858 4/20 0.34
CTSK P43235 4/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSS P25774 1/20 0.34
ACP1 P24666 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4288766 0.91 CD274 (0.42) CD274HPGDPOLBALDH1A1MAPT
SCHEMBL4279713 0.90 CREBBP (0.38) CD274HPGDATMPOLBRAB9A
SCHEMBL4288807 0.90 RORC (0.42)
SCHEMBL4287284 0.90 HPGD (0.42) CD274HPGDMAPK1ALDH1A1MAPT
SCHEMBL4281645 0.90 CD274 (0.41) CD274POLBRAB9ACTSS
SCHEMBL4288476 0.89 KMT2A (0.43) CD274HPGDPOLBALDH1A1MAPT
SCHEMBL4285433 0.89 CD274 (0.38) CD274HPGDRAB9ASMN1; SMN2CTSS
SCHEMBL4282950 0.89 HPGD (0.45) HPGDPOLBALDH1A1MAPTGAA
SCHEMBL4285638 0.88 FGFR1 (0.41) POLBALDH1A1GAAKDM4E
SCHEMBL4279964 0.87 TSHR (0.39) CD274HPGDMAPK1POLBALDH1A1

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 CD274 2230/4885HPGD 2563/4885HTT 4201/4885

“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.