SCHEMBL721801

SCHEMBL721801

COC(=O)c1ccc2c(n1)CCNC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAP4K1 Q92918 2/20 0.41
PIM1 P11309 1/20 0.39
PARP1 P09874 4/20 0.39
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
ACHE P22303 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.37
CDC7 O00311 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL30791992 0.85 MKNK2 (0.39) CYP1A2PARP1ACHEMAPK1CRBN
SCHEMBL23530100 0.85 MKNK2 (0.39) CYP1A2PARP1ACHEMAPK1CRBN
SCHEMBL287974 0.82 MAPK1 (0.39) CYP1A2PARP1MAPK1CRBN
SCHEMBL29550177 0.78 SLC6A15 (0.39) PIM1PARP1PARP10PARP11MAPK1
SCHEMBL10209783 0.78 SLC6A15 (0.39) PIM1PARP1PARP10PARP11MAPK1
SCHEMBL30640279 0.78 GRM5 (0.43) GRM5PARP1MAPK1
SCHEMBL10017919 0.78 GRM5 (0.43) GRM5PARP1MAPK1
SCHEMBL10008159 0.77 GRM5 (0.53) GRM5CYP1A2MAP4K1PARP1PARP10
SCHEMBL30130624 0.74 PARP10 (0.49) GRM5CYP1A2PARP1PARP10PARP11
SCHEMBL19153633 0.74 PARP10 (0.49) GRM5CYP1A2PARP1PARP10PARP11

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 20 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 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
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
WO-2012027564-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed
WO-2012027564-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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 (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 GRM5 483/4885CYP1A2 1215/4885MAP4K1 2981/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRM5 483/4885CYP1A2 1215/4885MAP4K1 2981/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRM5 483/4885CYP1A2 1215/4885MAP4K1 2981/4885

“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.