SCHEMBL4242644

SCHEMBL4242644

O=Cc1cccc(Oc2cccnc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAP4K4 O95819 1/20 0.47
GRM5 P41594 7/20 0.46
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9540409 0.82 LMNA (0.43) LMNATDP1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL19965079 0.76 LMNA (0.55) LMNATDP1MAP4K4GRM5ALDH1A1
SCHEMBL11383636 0.75 TERT (0.51) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10989239 0.75 MAP4K4 (0.49) MAP4K4ALDH1A1KDM4EMAPT
SCHEMBL11152339 0.75 MAP4K4 (0.49) LMNAMAP4K4GRM5
SCHEMBL11149465 0.74 KDM4E (0.50) LMNATDP1MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL9818059 0.74 TERT (0.46) SMN1; SMN2HTT
SCHEMBL10988595 0.74 TERT (0.52) LMNATDP1MAP4K4ALDH1A1HTT
SCHEMBL10708134 0.74 L3MBTL1 (0.50) ALDH1A1HTTKDM4EMAPT
SCHEMBL510617 0.72 ALDH1A1 (0.59) LMNATDP1MAP4K4ALDH1A1SMN1; SMN2

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-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 LMNA 3822/4885TDP1 3169/4885MAP4K4 630/4885

“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.