SCHEMBL346778

SCHEMBL346778

O=C(NO)C1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
HDAC1 Q13547 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HDAC8 Q9BY41 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OGG1 O15527 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KCNA1 Q09470 1/20 0.43
KCNAB1 Q14722 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 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
SCHEMBL346732 0.85 HTR6 (0.53) HTR6ALDH1A1LMNASMN1; SMN2THRB
SCHEMBL346164 0.82 KMT2A (0.48) HDAC1HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL345545 0.80 NPC1 (0.59) MEN1KMT2A
SCHEMBL438194 0.79 KMT2A (0.45) ALDH1A1HDAC8LMNASMN1; SMN2MEN1
SCHEMBL10260016 0.76 FAAH (0.51) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL346641 0.76 GHSR (0.49) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL10197645 0.76 FAAH (0.54)
SCHEMBL366547 0.75 P2RX7 (0.55) HDAC4HDAC7HDAC5
SCHEMBL459845 0.74 FAAH (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL459415 0.73 FAAH (0.43) ALDH1A1

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
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTR6 884/4885HDAC1 2/4885ALDH1A1 559/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HTR6 347/4885HDAC1 4/4885ALDH1A1 185/4885

“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.