SCHEMBL2440129

SCHEMBL2440129

Cc1cc(C(=O)NC(C)c2cccc(C(=O)NO)c2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NR2E1 Q9Y466 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CA2 P00918 1/20 0.42
PHGDH O43175 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL2408328 0.87 BAZ2B (0.50) BAZ2BALDH1A1CNR1CNR2HDAC8
SCHEMBL2411612 0.82 ALDH1A1 (0.47) ALDH1A1HDAC8HDAC6CA2PHGDH
SCHEMBL2408114 0.78 ATM (0.46) ALDH1A1CNR1CNR2HDAC8HDAC6
SCHEMBL6918740 0.78 ALDH1A1 (0.47) ALDH1A1HDAC8HDAC6CA2RAB9A
SCHEMBL6919879 0.77 TLR7 (0.53) ALDH1A1HDAC8HDAC6CA2KDM4E
SCHEMBL16075534 0.76 PHGDH (0.50) PHGDHKDM4EKMT2A
SCHEMBL2410336 0.76 KCNT1 (0.55) ALDH1A1PHGDH
SCHEMBL12279819 0.76 ALDH1A1 (0.57) ALDH1A1HDAC8HDAC6CA2GAA
SCHEMBL6919184 0.76 ALDH1A1 (0.48) ALDH1A1HDAC8HDAC6CA2GAA
SCHEMBL2407405 0.75 HTT (0.55) ALDH1A1RAB9AKMT2AROCK2ROCK1

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 8 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

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 BAZ2B 56/4885ALDH1A1 1696/4885NR2E1 1259/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 BAZ2B 56/4885ALDH1A1 1696/4885NR2E1 1259/4885

“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.