SCHEMBL2116598

SCHEMBL2116598

NC(=O)c1ccc2c(c1)NCN=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
LCK P06239 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
AR P10275 1/20 0.35
PARP1 P09874 6/20 0.34
CDC7 O00311 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GSK3B P49841 1/20 0.34
HTR1B P28222 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 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
SCHEMBL2115737 0.89 SIRT2 (0.37) TSHRLCKPKN1PKN2MKNK1
SCHEMBL29687112 0.87 KDM4E (0.41) TSHRSIRT2SIRT1
SCHEMBL28318621 0.87 KDM4E (0.41) TSHRSIRT2SIRT1
SCHEMBL27604301 0.73 KDM4E (0.44) TSHRSIRT2SIRT1
SCHEMBL35211576 0.72 NNMT (0.45) MKNK1MKNK2SIRT2F7F3
SCHEMBL2226474 0.71 NNMT (0.51) MKNK1MKNK2SIRT2F7F3
SCHEMBL27799415 0.70 KDM1A (0.40) TSHRLCKSIRT2PARP1
SCHEMBL7341198 0.69 KDM1A (0.40) TSHRLCKPARP1
SCHEMBL27556733 0.68 KDM1A (0.39) TSHRLCKPARP1
SCHEMBL4437948 0.67 TSHR (0.44) TSHRLCKSIRT2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TSHR 972/4885LCK 1686/4885PKN1 2341/4885

“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.