SCHEMBL436877

SCHEMBL436877

O=C(NO)C1CCc2cc(NC(=O)C3CCCN3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.48
ULK1 O75385 1/20 0.45
SCN3A Q9NY46 3/20 0.44
SCN9A Q15858 3/20 0.44
TERT O14746 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
KMT2A Q03164 1/20 0.41
KHK P50053 1/20 0.41
HPGD P15428 1/20 0.40
DHODH Q02127 1/20 0.40
GHSR Q92847 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL435892 0.83 ULK1 (0.51) ULK1KMT2AKHKHPGDGHSR
SCHEMBL346517 0.83 GHSR (0.49) KMT2AHPGDGHSRNPC1RAB9A
SCHEMBL8135910 0.83 KMT2A (0.58) PSMB8ULK1SCN3ASCN9ATERT
SCHEMBL8135912 0.83 KMT2A (0.58) PSMB8ULK1SCN3ASCN9ATERT
SCHEMBL10197864 0.82 HDAC8 (0.48) HDAC8KMT2AGHSR
SCHEMBL346347 0.82 HDAC8 (0.48) HDAC8KMT2AGHSR
Hydrochloric Acid SCHEMBL8148307 0.82 KMT2A (0.56) PSMB8ULK1SCN3ASCN9ATERT
Hydrochloric Acid SCHEMBL8148304 0.82 KMT2A (0.56) PSMB8ULK1SCN3ASCN9ATERT
SCHEMBL436770 0.79 ULK1 (0.46) ULK1KMT2AHPGDGHSRNPC1
SCHEMBL346641 0.78 GHSR (0.49) KMT2AHPGDGHSRNPC1RAB9A

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
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 PSMB8 1617/4885ULK1 4244/4885SCN3A 3093/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 PSMB8 2255/4885ULK1 3776/4885SCN3A 3174/4885

“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.