SCHEMBL2407405

SCHEMBL2407405

CC(NC(=O)c1cnccn1)c1cccc(C(=O)NO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ROCK2 O75116 6/20 0.49
ROCK1 Q13464 5/20 0.49
PRKACA P17612 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKX P51817 2/20 0.47
PRKCQ Q04759 2/20 0.47
MST1R Q04912 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
PRKG1 Q13976 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL21063065 0.82 HTT (0.68) HTTSMN1; SMN2ROCK2ROCK1PRKACA
SCHEMBL21138353 0.82 HTT (0.68) HTTSMN1; SMN2ROCK2ROCK1PRKACA
SCHEMBL6917439 0.81 ALDH1A1 (0.47) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL6919879 0.78 TLR7 (0.53) SMN1; SMN2ROCK2ROCK1MEN1KMT2A
SCHEMBL6919184 0.77 ALDH1A1 (0.48) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL30773518 0.77 SMN1; SMN2 (0.61) HTTSMN1; SMN2ROCK2MEN1KMT2A
SCHEMBL2411612 0.76 ALDH1A1 (0.47) SMN1; SMN2ROCK2ROCK1MEN1KMT2A
SCHEMBL6918740 0.76 ALDH1A1 (0.47) ROCK2ROCK1RAB9AALDH1A1MAPK1
SCHEMBL2407967 0.76 HDAC1 (0.58) HTTSMN1; SMN2RAB9A
SCHEMBL2440129 0.75 BAZ2B (0.47) HTTROCK2ROCK1KMT2ARAB9A

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 11 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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO 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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (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 HTT 97/4885SMN1; SMN2 975/4885ROCK2 360/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HTT 97/4885SMN1; SMN2 975/4885ROCK2 360/4885

“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.