SCHEMBL6325939

SCHEMBL6325939

CCn1nccc1OC(=O)c1ccc(Cn2nnn(C3CC3)c2=O)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GCK P35557 7/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL6858795 0.90 CYP3A4 (0.34) KMT2AMEN1POLBGCKKDM4E
SCHEMBL7214537 0.84 SIGMAR1 (0.43) KMT2APOLBSIGMAR1GCKKDM4E
SCHEMBL7214535 0.82 KMT2A (0.36) KMT2AMEN1POLBSIGMAR1GCK
SCHEMBL7548040 0.79 GCK (0.39) SIGMAR1GCKPDE1APDE1BPDE1C
SCHEMBL6330868 0.77 GCK (0.32) GCK
SCHEMBL7548038 0.75 KDM4C (0.41) KMT2APOLBGCKPDE1APDE1B
SCHEMBL7541012 0.75 ALDH1A1 (0.39) KMT2AGCKKDM4ELMNA
SCHEMBL6325937 0.72
SCHEMBL7541006 0.72 ALDH1A1 (0.32) KMT2APOLBGCKKDM4ELMNA
SCHEMBL6327440 0.68 KDM4C (0.33) LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936570-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM, K.K. (JP) 2005-08-30 US disclosed
US-20040242895-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-12-02 US disclosed
US-6790810-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 2004-09-14 US disclosed
US-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 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-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 KMT2A 2267/4885MEN1 3543/4885POLB 3569/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 KMT2A 2263/4885MEN1 3552/4885POLB 3582/4885

“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.