SCHEMBL4550040

SCHEMBL4550040

O=C(NO)c1ccc2ncn(Cc3cccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)c3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.49
MAPK10 P53779 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
USP2 O75604 3/20 0.46
P2RX3 P56373 2/20 0.46
NAMPT P43490 2/20 0.46
GRK2 P25098 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MMP13 P45452 3/20 0.43

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
SCHEMBL2619290 0.92 P2RX3 (0.54) HDAC6MAPK10MAPTPOLBATM
SCHEMBL4550047 0.83 GRK2 (0.61) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2118918 0.82 GRK2 (0.62) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2116310 0.81 HDAC3 (0.49) HDAC6MAPTATMP2RX3GRK2
SCHEMBL2619357 0.81 HDAC6 (0.51) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2619275 0.81 GRK2 (0.51) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2619283 0.80 HDAC1 (0.52) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2619279 0.80 GRK2 (0.55) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2119010 0.79 HDAC1 (0.51) HDAC6GRK2HDAC3HDAC4HDAC1
SCHEMBL2619274 0.79 HDAC1 (0.53) HDAC6GRK2HDAC3HDAC4HDAC1

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 6 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-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

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 1/4885MAPK10 3110/4885MAPT 2988/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885MAPK10 3110/4885MAPT 2988/4885

“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.