SCHEMBL16000810

SCHEMBL16000810

OC1(c2ncc(Br)cc2Cl)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
BCHE P06276 1/20 0.35
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL23580162 0.95 PLAU (0.40) PLAUBCHEHTTKMT2ASMN1; SMN2
SCHEMBL16000809 0.80 PLAU (0.36) PLAUHTTKMT2AALDH1A1GAA
SCHEMBL18668140 0.77 PLAU (0.37) PLAUSMN1; SMN2ALDH1A1CNR2
SCHEMBL23580260 0.75 THRB (0.32) SMN1; SMN2ALDH1A1
SCHEMBL27020188 0.74 PLAU (0.39) PLAUHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15992767 0.72 GPR119 (0.41) KMT2ASMN1; SMN2MAPT
SCHEMBL23608527 0.71 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL14920534 0.71 PLAU (0.44) PLAUHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15265393 0.71 PKM (0.32) SMN1; SMN2GAA
SCHEMBL14919923 0.70 PLAU (0.36) PLAUHTTKMT2A

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-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 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-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 PLAU 3771/4885BCHE 4137/4885HTT 2029/4885

“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.