SCHEMBL2808927

SCHEMBL2808927

COc1ccc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
ATM Q13315 2/20 0.36
BDKRB1 P46663 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
POLB P06746 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34

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
SCHEMBL185234 0.90 GAA (0.35) LMNAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL13128989 0.88 NPSR1 (0.38) LMNAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL2806528 0.87 HPGD (0.41) LMNAKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL2809237 0.87 GAA (0.44) LMNAMAPTALDH1A1TDP1GAA
SCHEMBL2813652 0.86 KMT2A (0.42) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL2808159 0.86 KCNH2 (0.43) KDM4ESMN1; SMN2MAPTALDH1A1HTT
SCHEMBL13128501 0.85 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL2805499 0.85 BDKRB1 (0.41) GAABDKRB1POLBBTKCNR2
SCHEMBL2807542 0.83 NAMPT (0.39) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL2812345 0.83 POLB (0.43) LMNAKDM4ESMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885KDM4E 4133/4885SMN1; SMN2 4025/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885KDM4E 4133/4885SMN1; SMN2 4025/4885

“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.