SCHEMBL2116618

SCHEMBL2116618

O=C(NO)c1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.61
PARP1 P09874 9/20 0.54
CHEK1 O14757 2/20 0.54
PIM1 P11309 2/20 0.54
ALDH1A1 P00352 1/20 0.54
RPS6KA3 P51812 1/20 0.54
SLC2A1 P11166 1/20 0.52
ROCK2 O75116 1/20 0.48
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
AKT1 P31749 1/20 0.46
FLT3 P36888 1/20 0.46
PIM3 Q86V86 1/20 0.46
KDR P35968 3/20 0.46
EPHB4 P54760 3/20 0.46
TEK Q02763 3/20 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
SCHEMBL2118498 0.88 SLC2A1 (0.68) HDAC6PARP1CHEK1PIM1SLC2A1
SCHEMBL263941 0.83 PARP1 (0.58) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL2656961 0.82 NPC1 (0.59) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL2315757 0.81 PARP1 (0.57) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL13908150 0.81 SLC2A1 (0.77) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL30205640 0.81 PARP1 (0.57) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL31067306 0.81 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL265032 0.81 PARP1 (0.56) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL6435606 0.80 PARP1 (0.49) HDAC6PARP1CHEK1PIM1ALDH1A1
SCHEMBL1608962 0.80 HDAC6 (0.77) HDAC6ALDH1A1SMN1; SMN2

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885PARP1 383/4885CHEK1 2998/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885PARP1 383/4885CHEK1 2998/4885

“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.