SCHEMBL3489240

SCHEMBL3489240

O=C(O)NN=C1CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 7/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 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
SCHEMBL7345401 0.79
SCHEMBL7354510 0.79 KDM4E (0.50) ALDH1A1KDM4EGAAKMT2ATDP1
SCHEMBL7351663 0.77 KDM4E (0.53) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL22407037 0.75 CTH (0.38) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL12539457 0.71 KDM4E (0.60) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL20583677 0.71 KDM4E (0.38) ALDH1A1KDM4EGAAKMT2ATDP1
SCHEMBL18641821 0.69 KDM4E (0.37) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL18989201 0.68 KDM4E (0.34) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL12539642 0.67 KDM4E (0.47) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL2305380 0.67 KDM4E (0.35) KDM4E

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 ALDH1A1 1704/4885KDM4E 3578/4885GAA 4647/4885

“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.