SCHEMBL481039

SCHEMBL481039

O=C(O)c1ccnc(CCCl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.52
▸ KDM5C P41229 7/20 0.52
▸ KDM5B Q9UGL1 7/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ KDM5A P29375 6/20 0.52
▸ KDM4A O75164 5/20 0.52
▸ KDM6B O15054 4/20 0.52
▸ KDM2A Q9Y2K7 3/20 0.52
▸ KDM3A Q9Y4C1 3/20 0.52
▸ KDM4D Q6B0I6 2/20 0.52
▸ TET3 O43151 1/20 0.52
▸ BBOX1 O75936 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ASPH Q12797 1/20 0.52
▸ TET2 Q6N021 1/20 0.52
▸ ALKBH5 Q6P6C2 1/20 0.52
▸ KDM7A Q6ZMT4 1/20 0.52
▸ KDM8 Q8N371 1/20 0.52
▸ TET1 Q8NFU7 1/20 0.52

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
SCHEMBL31191238 0.85 KDM4C (0.55) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL845767 0.85 KDM4C (0.55) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL16055756 0.82 KDM4E (0.65) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL28561977 0.80 KDM4E (0.53) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL7670706 0.79 KDM4C (0.57) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL2305108 0.79 KDM4C (0.57) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL16055788 0.79 KDM5B (0.63) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL27542831 0.79 KDM4C (0.63) KDM4CKDM5CKDM5BKDM4EKDM5A
SCHEMBL13518765 0.79 KDM4E (0.44) KDM4CKDM5CKDM5BKDM4EKDM5A
Hydrochloric Acid SCHEMBL30523486 0.78 KDM4C (0.61) KDM4CKDM5CKDM5BKDM4EKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 — — EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 — — EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 — — US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 — — WO 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 KDM4C 3615/4885KDM5C 3245/4885KDM5B 3235/4885

“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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