SCHEMBL178802

SCHEMBL178802

O=C1CC(C(F)(F)F)=NN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LOX P28300 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HTT P42858 1/20 0.47
ALOX5 P09917 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL761303 0.85 KMT2A (0.62) KMT2AMEN1LOXHTTPTGS1
SCHEMBL765763 0.84 LOX (0.49) KMT2AMEN1LOXPDCD1CD274
SCHEMBL4661641 0.84 MAPT (0.65) KMT2AMEN1PDCD1CD274HTT
SCHEMBL178857 0.83 LOX (0.71) KMT2AMEN1LOXPTGS1MAPT
SCHEMBL5463910 0.81 KMT2A (0.66) KMT2AMEN1LOXHTTMAPT
SCHEMBL3529002 0.81 KMT2A (0.47) KMT2AMEN1PDCD1CD274HTT
SCHEMBL7254685 0.79 CD274 (0.55) KMT2AMEN1PDCD1CD274HTT
SCHEMBL766140 0.78 GAA (0.51) KMT2AMEN1PDCD1CD274HTT
SCHEMBL5470613 0.77 GAA (0.48) KMT2AMEN1LOXMAPTGAA
SCHEMBL9383446 0.77 KMT2A (0.69) KMT2AMEN1PDCD1CD274MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 KMT2A 3041/4885MEN1 4480/4885LOX 1569/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS KMT2A 2961/4885MEN1 4473/4885LOX 2209/4885

“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.