SCHEMBL10224317

SCHEMBL10224317

O=C(NO)c1cnc2c(n1)CCN(C(=O)CC1CCCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CHRM4 P08173 1/20 0.37
NAMPT P43490 5/20 0.36
HDAC6 Q9UBN7 6/20 0.35
FAAH O00519 1/20 0.34
HRH1 P35367 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL10224286 0.77 HDAC6 (0.39) GRM5HDAC6
SCHEMBL719997 0.75 HDAC6 (0.40) GRM5HDAC6
SCHEMBL10208238 0.74 HDAC6 (0.38) GRM5NAMPTHDAC6HDAC3HDAC1
SCHEMBL721914 0.73 HSD11B1 (0.46) GRM5KDM4EALDH1A1HDAC6HDAC3
SCHEMBL30717671 0.69 GRM5 (0.52) ADORA2AADORA1GRM5KDM4EALDH1A1
SCHEMBL1263315 0.69 HDAC6 (0.67) NAMPTHDAC6HDAC3HDAC1HDAC8
SCHEMBL10224226 0.68 HDAC6 (0.62) ADORA1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4988261 0.68 ADORA2A (0.51) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL30790927 0.68 ADORA2A (0.46) ADORA2AADORA1GRM5KDM4EALDH1A1
SCHEMBL10224334 0.68 SMN1; SMN2 (0.40) KDM4EALDH1A1HSD17B10CYP1A2HDAC6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US claimed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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 (3 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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ADORA2A 1983/4885ADORA1 1192/4885GRM5 483/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ADORA2A 1983/4885ADORA1 1192/4885GRM5 483/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ADORA2A 1983/4885ADORA1 1192/4885GRM5 483/4885

“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.