SCHEMBL345511

SCHEMBL345511

O=C(NO)C1CCc2ccc(NCc3cccnc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PABPC1 P11940 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LTA4H P09960 1/20 0.42
CYP2C9 P11712 6/20 0.41
CYP2C19 P33261 6/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.41
TSHR P16473 1/20 0.40
VNN1 O95497 1/20 0.40

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
SCHEMBL345840 0.87 MAPT (0.45) HDAC8MAPTMEN1KMT2APABPC1
SCHEMBL459663 0.78 CYP11B1 (0.57) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL345641 0.75 ACVRL1 (0.49) HDAC8ALDH1A1KDM4EHDAC6
SCHEMBL346594 0.75 FFAR1 (0.48)
SCHEMBL346164 0.73 KMT2A (0.48) HDAC8MAPTMEN1KMT2AGAA
SCHEMBL346641 0.72 GHSR (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL438194 0.72 KMT2A (0.45) HDAC8MEN1KMT2AALDH1A1KDM4E
SCHEMBL346576 0.72 GRIN2B (0.44) HDAC1
SCHEMBL345545 0.71 NPC1 (0.59) MAPTMEN1KMT2A
SCHEMBL10197679 0.70 FAAH (0.44) HDAC8HDAC3HDAC1HDAC2HDAC6

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 5 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
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 HDAC8 13/4885MAPT 2161/4885MEN1 3294/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC8 19/4885MAPT 1377/4885MEN1 3777/4885

“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.