SCHEMBL4288801

SCHEMBL4288801

COC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1N(C)C(=O)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL4285857 0.90 TSHR (0.39) KDM4ETSHRHSD17B10RAB9AALDH1A1
SCHEMBL4289698 0.83 ALDH1A1 (0.43) HTTALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL4285067 0.80 TSHR (0.47) HTTKDM4ELMNATP53ALOX15
SCHEMBL28916239 0.70 MAPT (0.43) KDM4ETP53ALOX15SMN1; SMN2TSHR
SCHEMBL3846829 0.70 GAA (0.44) KDM4ETP53ALOX15SMN1; SMN2TSHR
SCHEMBL4285291 0.70 TP53 (0.44) KDM4ETP53ALOX15SMN1; SMN2TSHR
SCHEMBL4286953 0.70 PDE10A (0.42) ALOX15SMN1; SMN2TSHRALDH1A1POLB
SCHEMBL28916204 0.69 KDM4E (0.42) KDM4ETP53ALOX15SMN1; SMN2TSHR
SCHEMBL4284526 0.67 KDM4E (0.42) KDM4ELMNATP53ALOX15SMN1; SMN2
SCHEMBL3848554 0.65 LIPE (0.37) KDM4ETP53ALOX15SMN1; SMN2HSD17B10

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 HTT 4201/4885KDM4E 810/4885LMNA 2198/4885

“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.