SCHEMBL4002045

SCHEMBL4002045

Cn1cc(C(=O)C(=O)O)c2c(F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
RORC P51449 3/20 0.40
CYP3A4 P08684 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.39
NR4A2 P43354 1/20 0.39
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL2439783 0.87 POLB (0.47) POLBALDH1A1KMT2AMEN1HTT
SCHEMBL7498303 0.86 POLB (0.41) POLBALDH1A1KMT2AMEN1HTT
SCHEMBL6593085 0.79 ALDH1A1 (0.45) POLBALDH1A1KMT2AMEN1HTT
SCHEMBL259818 0.77 TSHR (0.43) POLBHTTCNR2MAPT
SCHEMBL18509797 0.75 CMA1 (0.47) KMT2AMEN1LMNA
SCHEMBL21392094 0.74 KMT2A (0.44) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL1558956 0.73 POLB (0.68) POLBALDH1A1KMT2AMEN1HTT
SCHEMBL18029258 0.72 MAPT (0.48) POLBALDH1A1KMT2AMEN1CYP3A4
SCHEMBL92572 0.71 ALDH1A1 (0.44) POLBALDH1A1KMT2AMEN1RORC
SCHEMBL27249552 0.71 CNR1 (0.39) POLBALDH1A1KMT2AMEN1CNR1

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-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R POLB 3471/4885ALDH1A1 287/4885KMT2A 2025/4885

“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.