SCHEMBL2408516

SCHEMBL2408516

CC(NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 15/20 0.80
TRPA1 O75762 1/20 0.53
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MCL1 Q07820 1/20 0.48
HDAC2 Q92769 1/20 0.47

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
SCHEMBL2412529 1.00 PHGDH (0.80) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL2410179 0.88 PHGDH (0.67) PHGDHTRPA1HDAC1MCL1HDAC2
SCHEMBL2407985 0.88 PHGDH (0.67) PHGDHTRPA1HDAC1MCL1HDAC2
SCHEMBL2406877 0.88 PHGDH (0.67) PHGDHTRPA1HDAC1MCL1HDAC2
SCHEMBL16297619 0.88 PHGDH (0.64) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL2408696 0.88 PHGDH (0.64) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL12280158 0.85 PHGDH (0.59) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL12279917 0.85 PHGDH (0.59) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL2409757 0.85 PHGDH (0.59) PHGDHTRPA1HDAC1HDAC6MCL1
SCHEMBL2406738 0.84 PHGDH (0.58) PHGDHTRPA1HDAC1HDAC6MCL1

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 10 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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
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
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 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
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US 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 PHGDH 2119/4885TRPA1 3830/4885HDAC1 3/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 PHGDH 2119/4885TRPA1 3830/4885HDAC1 3/4885

“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.