SCHEMBL2408321

SCHEMBL2408321

C[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.61
TRPA1 O75762 1/20 0.50
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC9A1 P19634 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL12280337 0.86 PHGDH (0.50) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL2412529 0.84 PHGDH (0.80) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL2408516 0.84 PHGDH (0.80) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL12271562 0.83 PHGDH (0.55) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL12280109 0.82 PHGDH (0.53) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL12280152 0.82 PHGDH (0.52) PHGDHTRPA1HDAC6HDAC1HDAC2
SCHEMBL2410179 0.80 PHGDH (0.67) PHGDHTRPA1HDAC1HDAC2MCL1
SCHEMBL2407985 0.80 PHGDH (0.67) PHGDHTRPA1HDAC1HDAC2MCL1
SCHEMBL2406877 0.80 PHGDH (0.67) PHGDHTRPA1HDAC1HDAC2MCL1
SCHEMBL12280591 0.80 HDAC6 (0.50) HDAC6HDAC1HDAC2MEN1NPC1

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 9 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
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 3830/4885HDAC6 1/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 PHGDH 2119/4885TRPA1 3830/4885HDAC6 1/4885

“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.