SCHEMBL16633420

SCHEMBL16633420

CCN(C(=O)O)c1cncc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HTT P42858 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 4/20 0.39
ROCK2 O75116 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
ROCK1 Q13464 1/20 0.39
CASP3 P42574 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL15367464 0.87 POLB (0.46) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL14908642 0.80 SMN1; SMN2 (0.49) POLBHCAR2HTTSMN1; SMN2RAB9A
SCHEMBL31287078 0.79 MAPT (0.44) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL15367167 0.78 POLB (0.40) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL3507485 0.77 POLB (0.48) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL27938388 0.77 MAPT (0.48) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL4763042 0.77 HTT (0.45) HCAR2HTTTSHRKDM4EALDH1A1
SCHEMBL4441427 0.77 POLB (0.57) POLBHCAR2HTTSMN1; SMN2MAPT
SCHEMBL15320269 0.75 TSHR (0.50) HTTSMN1; SMN2RAB9ATSHRKDM4E
SCHEMBL748189 0.74 SMN1; SMN2 (0.53) POLBHCAR2HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A POLB 2346/4885HCAR2 1466/4885HTT 659/4885

“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.