SCHEMBL4594960

SCHEMBL4594960

Nc1ncc(CCC(=O)Nc2ccc(F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HRH2 P25021 3/20 0.44
OGA O60502 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4595357 0.85 SMN1; SMN2 (0.53) HDAC1HDAC2TSHRALDH1A1GAA
SCHEMBL29057479 0.77 OGA (0.72) TSHRALDH1A1OGAATM
SCHEMBL5027766 0.73 SMN1; SMN2 (0.46) HDAC1HDAC2HDAC3HDAC6TSHR
SCHEMBL5025176 0.73 ALDH1A1 (0.48) HDAC1HDAC2HDAC3GLATSHR
SCHEMBL4015123 0.72 EPHX2 (0.50) TSHRALDH1A1POLB
SCHEMBL707268 0.72 KMT2A (0.55) POLBSMN1; SMN2TP53
SCHEMBL28361719 0.72 TSHR (0.43) HDAC1HDAC2HDAC3HDAC6TSHR
SCHEMBL5835647 0.72 SMN1; SMN2 (0.49) HDAC6TSHRALDH1A1HRH2POLB
SCHEMBL29057542 0.71 OGA (0.73) OGA
SCHEMBL29057427 0.71 OGA (0.77) ALDH1A1OGAATM

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 3 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

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 HDAC1 461/4885HDAC2 370/4885HDAC3 192/4885

“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.