SCHEMBL2436091

SCHEMBL2436091

NCN(OC1CCCCO1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OXTR P30559 3/20 0.40
HPGD P15428 1/20 0.39
SLC6A3 Q01959 2/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
AVPR1A P37288 2/20 0.35

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
SCHEMBL22454527 0.80 MEN1 (0.41) MEN1KMT2AOXTRHPGDSLC6A3
SCHEMBL28741465 0.80 MEN1 (0.41) MEN1KMT2AOXTRHPGDSLC6A3
SCHEMBL9508809 0.78 MGLL (0.44) MEN1KMT2AOXTRAVPR1A
SCHEMBL10677822 0.76 MGLL (0.43) MEN1KMT2AOXTRAVPR1A
SCHEMBL23817377 0.72 SLC18A3 (0.50) MEN1KMT2AHPGDSLC6A3
Benzoic Acid SCHEMBL28591606 0.72 MEN1 (0.56) MEN1KMT2AHPGDSLC6A3EP300
SCHEMBL9506049 0.72 MEN1 (0.46) MEN1KMT2AOXTRAVPR1A
SCHEMBL4776765 0.71 MEN1 (0.52) MEN1KMT2AHPGDSLC6A3EP300
SCHEMBL4082004 0.71 GSTP1 (0.49) MEN1KMT2AHPGDSLC6A3
SCHEMBL11020227 0.71 OXTR (0.40) MEN1KMT2AOXTRAVPR1A

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 MEN1 3689/4885KMT2A 137/4885OXTR 4281/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 MEN1 3689/4885KMT2A 137/4885OXTR 4281/4885

“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.