SCHEMBL5672292

SCHEMBL5672292

NC(=O)c1cn(C[C@@H](O)CCCOc2ccc3cc(Br)ccc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.49
CYP3A4 P08684 1/20 0.47
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 1/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL5671097 0.98 ADA (0.50) ADACYP3A4NPSR1SMN1; SMN2LMNA
SCHEMBL6133548 0.90 ADA (0.61) ADAMAPK1POLB
SCHEMBL5672312 0.89 KDM4E (0.43) ADALMNAMAPTMEN1KMT2A
SCHEMBL5671885 0.87 ADA (0.53) ADASMN1; SMN2LMNAMAPTMEN1
SCHEMBL5673460 0.86 ADA (0.50) ADACYP3A4POLB
SCHEMBL5671213 0.85 ADA (0.49) ADACYP3A4MAPTPOLB
SCHEMBL5671871 0.84 ADA (0.48) ADAKDM4EPOLB
SCHEMBL5674019 0.83 ADA (0.44) ADASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5672355 0.83 ADA (0.46) ADASMN1; SMN2MAPTHTTMEN1
SCHEMBL5671001 0.83 ADA (0.49) ADASMN1; SMN2LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US claimed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 US claimed
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US disclosed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 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-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ADA, ADAR, IMPDH1 ADA 1/4885CYP3A4 311/4885NPSR1 2744/4885

“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.