SCHEMBL13902011

SCHEMBL13902011

CC(=O)Nc1ccc(C(=O)Nc2csc(C(F)(F)F)c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
HDAC1 Q13547 7/20 0.53
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL13902002 0.88 NPC1 (0.48) HDAC1ALDH1A1KDM4EHDAC3HDAC2
SCHEMBL13902003 0.74 NPC1 (0.53) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL16607163 0.72 ALDH1A1 (0.79) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL12506291 0.71 CACNA1B (0.73) CACNA1BAPBA1HDAC1ALDH1A1KDM4E
SCHEMBL13902009 0.71 GAA (0.41) ALDH1A1SMN1; SMN2POLBKMT2ANPC1
Tacedinaline SCHEMBL248074 0.71 HDAC1 (0.66) CACNA1BAPBA1HDAC1HDAC3HDAC2
SCHEMBL16607184 0.71 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL16607187 0.70 MPL (0.68) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL25143896 0.69 CACNA1B (0.86) CACNA1BAPBA1HDAC1ALDH1A1KDM4E
SCHEMBL19462358 0.69 HDAC1 (0.56) CACNA1BAPBA1HDAC1ALDH1A1KDM4E

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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CACNA1B 4782/4885APBA1 2677/4885HDAC1 264/4885

“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.