SCHEMBL4595127

SCHEMBL4595127

Nc1ncc(CCNC(=O)c2cccc(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPY1R P25929 1/20 0.44
RECQL P46063 1/20 0.44
NPY2R P49146 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 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
SCHEMBL4595629 0.84 GAA (0.51) GAALMNAMAPTHDAC6HDAC1
SCHEMBL20912507 0.77 RAB9A (0.64) GAALMNAMAPTHPGDCYP1A2
SCHEMBL4595357 0.75 SMN1; SMN2 (0.53) GAAMAPTHDAC1HDAC2MEN1
SCHEMBL14907946 0.74 GAA (0.61) GAALMNAHDAC6HDAC1HPGD
SCHEMBL1972631 0.73 HDAC2 (0.71) GAALMNAHDAC6HDAC1HPGD
Hydrochloric Acid SCHEMBL30221883 0.73 GAA (0.59) GAALMNAMAPTHDAC6HDAC1
SCHEMBL28779663 0.72 HDAC2 (0.75) GAALMNAMAPTHDAC6NAMPT
SCHEMBL5684644 0.72 SMN1; SMN2 (0.50) MAPTCYP1A2RECQLALDH1A1TSHR
SCHEMBL29583694 0.72 GAA (0.62) GAALMNAMAPTHDAC6HDAC1
SCHEMBL707268 0.72 KMT2A (0.55) LMNAMAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948651-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2008-07-30 EP disclosed
US-20070149523-A1 Thiazole Analogues and Uses Thereof 4SC AG (DE) 2007-06-28 US disclosed
WO-2007054357-A1 THIAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2007-05-18 WO disclosed
EP-1785420-A1 Thiazole analogues and uses thereof 4SC AG (DE) 2007-05-16 EP 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-20070149523-A1 Thiazole Analogues and Uses Thereof NR3C2, SLC26A4, CLIC4 GAA 3785/4885LMNA 3983/4885MAPT 4563/4885

“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.