SCHEMBL997839

SCHEMBL997839

COc1ncc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DYRK1B Q9Y463 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
MAP4K4 O95819 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR183 P32249 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
DYRK1A Q13627 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL12951065 0.81 NPSR1 (0.56) FTORAB9ANPC1SMN1; SMN2ALKBH5
SCHEMBL969720 0.78 MKNK1 (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL322342 0.77
SCHEMBL12925912 0.76 FTO (0.47) FTORAB9ANPC1SMN1; SMN2ALKBH5
SCHEMBL1687460 0.76 FTO (0.47) FTOALKBH5MAP4K4NPSR1PIK3CA
SCHEMBL1623866 0.76 KIF11 (0.48) FTORAB9ANPC1ALKBH5MAP4K4
SCHEMBL2021249 0.76 NPC1 (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21427051 0.75 FTO (0.50) FTORAB9ANPC1DYRK1BALKBH5
SCHEMBL11755455 0.75 FTO (0.46) FTOALKBH5ALDH1A1MEN1KMT2A
SCHEMBL2039580 0.73 MAP4K4 (0.69) FTOMAP4K4CSNK2A1MKNK2CD274

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 FTO 1600/4885RAB9A 301/4885NPC1 754/4885

“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.