SCHEMBL23225516

SCHEMBL23225516

CCCCCCCC(CCCCCCC)n1cc(Br)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.53
CYP2C19 P33261 4/20 0.50
ASAH1 Q13510 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
TK1 P04183 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK5 Q16478 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL20334523 0.84 CYP2C19 (0.51) SQORCYP2C19ALDH1A1GAATDP1
SCHEMBL20334744 0.84 CYP2C19 (0.51) SQORCYP2C19ALDH1A1GAATDP1
SCHEMBL22106705 0.84 CYP2C19 (0.51) SQORCYP2C19ALDH1A1GAATDP1
SCHEMBL23353346 0.84 CYP2C19 (0.51) SQORCYP2C19ALDH1A1GAATDP1
SCHEMBL20820202 0.82 SMN1; SMN2 (0.59) SQORCYP2C19ASAH1ALDH1A1GAA
SCHEMBL21275595 0.80 CYP2C19 (0.51) SQORCYP2C19ALDH1A1GAATDP1
SCHEMBL20870852 0.80 CYP2C19 (0.48) SQORCYP2C19ASAH1ALDH1A1GAA
SCHEMBL23278563 0.80 CYP2C19 (0.45) SQORCYP2C19ASAH1ALDH1A1GAA
SCHEMBL20870271 0.78 CYP2C19 (0.46) SQORCYP2C19ASAH1ALDH1A1GAA
SCHEMBL20870270 0.78 CYP2C19 (0.46) SQORCYP2C19ASAH1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 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-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B SQOR 3743/4885CYP2C19 3335/4885ASAH1 533/4885

“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.