SCHEMBL9913290

SCHEMBL9913290

C/C(=N/C#N)NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX1 P07099 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL16349422 0.94 SIGMAR1 (0.45) MAPK10SIGMAR1HPGDMEN1KMT2A
SCHEMBL3753178 0.75 ALDH1A1 (0.36) MAPK10SIGMAR1HPGDEPHX1SMN1; SMN2
SCHEMBL3753176 0.75 ALDH1A1 (0.36) MAPK10SIGMAR1HPGDEPHX1SMN1; SMN2
SCHEMBL10575962 0.72 SIGMAR1 (0.54) SIGMAR1LMNAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL15090359 0.69 HPGD (0.46) MAPK10SIGMAR1HPGDLMNAEPHX1
SCHEMBL30751975 0.69 SIGMAR1 (0.55) MAPK10SIGMAR1LMNAEPHX1SMN1; SMN2
SCHEMBL24135671 0.67 SIGMAR1 (0.64) SIGMAR1MEN1KMT2ALMNAEPHX1
SCHEMBL10395392 0.67 SIGMAR1 (0.52) SIGMAR1MEN1KMT2ALMNAEPHX1
SCHEMBL6225852 0.67 SIGMAR1 (0.47) SIGMAR1HPGDLMNAMMP2MMP8
SCHEMBL11696611 0.67 POLB (0.45) MAPK10SIGMAR1KMT2ALMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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 (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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 MAPK10 626/4885SIGMAR1 1338/4885HPGD 3521/4885

“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.