SCHEMBL13576148

SCHEMBL13576148

COc1ccccc1C1CC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.77
▸ MEN1 O00255 4/20 0.77
▸ MAOA P21397 2/20 0.62
▸ MAOB P27338 2/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ POLB P06746 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ PPARG P37231 1/20 0.53
▸ NCOA2 Q15596 1/20 0.53
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ NT5E P21589 1/20 0.51

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
SCHEMBL13576145 0.90 KMT2A (0.64) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL13576149 0.84 KMT2A (0.57) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL13576159 0.81 NR1H2 (0.66) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL3319431 0.79 KMT2A (0.61) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL1754554 0.77 NR1H2 (0.75) KMT2AMEN1NR1H2
SCHEMBL14057504 0.76 MAOA (0.66) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL13576022 0.75 KMT2A (0.52) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL27918165 0.75 KMT2A (0.61) KMT2AMEN1MAOAMAOBSMN1; SMN2
SCHEMBL3314624 0.75 KMT2A (0.64) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL3312460 0.74 MAOB (0.78) KMT2AMAOAMAOBALDH1A1POLB

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-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 — — 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-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 KMT2A 2392/4885MEN1 4513/4885MAOA 4177/4885

“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.

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