SCHEMBL1143530

SCHEMBL1143530

C1CN(C23CC4CC(CC(C4)C2)C3)CCN(C23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
LMNA P02545 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
SCHEMBL15922741 0.97 TP53 (0.39) TP53MAPK1SMN1; SMN2ATMGAA
SCHEMBL11355878 0.92 HSD11B1 (0.41) TP53MAPK1SMN1; SMN2ATMHSD11B1
SCHEMBL15922897 0.92 TP53 (0.41) TP53MAPK1SMN1; SMN2ATMGAA
SCHEMBL10436532 0.90 HSD11B1 (0.43) TP53SMN1; SMN2GAAHSD11B1L3MBTL1
SCHEMBL15922928 0.90 HSD11B1 (0.43) TP53SMN1; SMN2GAAHSD11B1L3MBTL1
Ammonia Solution, Strong SCHEMBL27892508 0.85 HSD11B1 (0.41) TP53SMN1; SMN2GAAHSD11B1L3MBTL1
SCHEMBL455945 0.81 TP53 (0.36) TP53MAPK1SMN1; SMN2ATMGAA
SCHEMBL19073248 0.80 TP53 (0.36) TP53MAPK1SMN1; SMN2ATMGAA
SCHEMBL18177915 0.80 HTT (0.47) TP53MAPK1SMN1; SMN2ATMGAA
Hydrochloric Acid SCHEMBL1697515 0.79 SMN1; SMN2 (0.38) TP53MAPK1SMN1; SMN2ATMGAA

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-7884097-B2 Contains 1-(2-Aminoethyl)piperidine and 2-adamantanone; mycobacterial infections SEQUELLA, INC. (US) 2011-02-08 US disclosed
EP-1670314-A4 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA INC (US) 2009-02-25 EP disclosed
EP-1670314-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS Sequella, Inc. (US) 2006-06-21 EP disclosed
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics SEQUELLA, INC. 2005-05-26 US disclosed
WO-2005034857-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA, INC. (US) 2005-04-21 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-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics C5, DDC, SAT1 TP53 1956/4885MAPK1 1865/4885SMN1; SMN2 1839/4885

“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.