SCHEMBL15775663

SCHEMBL15775663

N#C[CH]c1ccc(Cl)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ADRA1D P25100 1/20 0.40
GABRA1 P14867 6/20 0.40
GABRG2 P18507 6/20 0.40
GABRB3 P28472 6/20 0.40
GABRB2 P47870 3/20 0.40
MAPT P10636 3/20 0.40
GABRB1 P18505 1/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15775633 0.80 DGAT1 (0.46) KDM4EGLAGAAMAPTHPGD
SCHEMBL14152648 0.79 ALDH1A1 (0.51) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL15775922 0.76 CES2 (0.42) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3068353 0.75 ALDH1A1 (0.45) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL2950603 0.74 ADRA1D (0.56) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL16681377 0.73 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL16680926 0.73 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL6802462 0.73 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL15775457 0.73 CHEK1 (0.41) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL14785588 0.72 ALDH1A1 (0.45) KDM4EALDH1A1GLAGAAADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP claimed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 KDM4E 865/4885ALDH1A1 1540/4885GLA 2694/4885

“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.