SCHEMBL999976

SCHEMBL999976

N#Cc1cc(Br)ccc1-c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGES O14684 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC1A5 Q15758 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 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
SCHEMBL1330306 0.82 CYP11B2 (0.50) CYP11B1CYP11B2CNR1CNR2CYP19A1
SCHEMBL31310581 0.79 MAOB (0.44) PTGESSLC1A5LMNAMAOAMAOB
SCHEMBL19062226 0.79 MAOB (0.44) PTGESSLC1A5LMNAMAOAMAOB
SCHEMBL30169926 0.77 MAPK1 (0.45) CYP19A1KDM4EALDH1A1LMNAHPGD
SCHEMBL21643668 0.77 MAPK1 (0.45) CYP19A1KDM4EALDH1A1LMNAHPGD
SCHEMBL12925876 0.76 CYP19A1 (0.39) CYP11B1CYP11B2CNR1CNR2CYP19A1
SCHEMBL1001686 0.74 CYP11B1 (0.46) CYP11B1CYP11B2CNR1CNR2
SCHEMBL23294465 0.74 XDH (0.44) CNR1CNR2KDM4ESLC1A5ALDH1A1
SCHEMBL29852101 0.74 XDH (0.44) CNR1CNR2KDM4ESLC1A5ALDH1A1
SCHEMBL998808 0.73 ALOX5AP (0.49) CYP11B1CYP11B2CYP17A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP11B1 3818/4885CYP11B2 3827/4885CNR1 1597/4885

“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.