SCHEMBL2406877

SCHEMBL2406877

CC(NC(=O)c1cc2ccccc2n1C)c1cccc(C(=O)NO)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 12/20 0.67
TRPA1 O75762 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MCL1 Q07820 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2410179 1.00 PHGDH (0.67) PHGDHTRPA1ALDH1A1MEN1KMT2A
SCHEMBL2407985 1.00 PHGDH (0.67) PHGDHTRPA1ALDH1A1MEN1KMT2A
SCHEMBL2412529 0.88 PHGDH (0.80) PHGDHTRPA1MCL1HDAC1HDAC2
SCHEMBL2408516 0.88 PHGDH (0.80) PHGDHTRPA1MCL1HDAC1HDAC2
SCHEMBL12271575 0.81 PHGDH (0.62) PHGDHTRPA1MEN1KMT2AMCL1
SCHEMBL2406641 0.81 ALDH1A1 (0.46) PHGDHALDH1A1MEN1KMT2A
SCHEMBL6917942 0.81 ALDH1A1 (0.46) PHGDHALDH1A1MEN1KMT2A
SCHEMBL2408321 0.80 PHGDH (0.61) PHGDHTRPA1MEN1KMT2AMCL1
SCHEMBL2436252 0.80 HTT (0.47) PHGDHALDH1A1HDAC1HDAC2
SCHEMBL2409938 0.80 PHGDH (0.61) PHGDHTRPA1MEN1KMT2AMCL1

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
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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO 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 3830/4885ALDH1A1 1696/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 PHGDH 2119/4885TRPA1 3830/4885ALDH1A1 1696/4885

“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.