SCHEMBL10098708

SCHEMBL10098708

C#CCN(C)C(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ TGM2 P21980 1/20 0.50
▸ FPR2 P25090 4/20 0.49
▸ P2RY6 Q15077 1/20 0.46
▸ CHRM1 P11229 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.42
▸ AVPR2 P30518 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPY4R P50391 3/20 0.39
▸ IGLV6-57 P01721 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
SCHEMBL14078001 0.89 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL12673518 0.89 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL12017847 0.88 MEN1 (0.53) MEN1BLMKMT2AUSP2POLB
SCHEMBL10000831 0.88 P2RY6 (0.56) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL21112986 0.87 P2RY6 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL14078000 0.87 MEN1 (0.54) MEN1BLMKMT2AUSP2POLB
SCHEMBL27105521 0.86 FPR2 (0.55) MEN1BLMKMT2AUSP2POLB
SCHEMBL15932542 0.85 USP2 (0.54) MEN1BLMKMT2AUSP2POLB
Rhodamine B SCHEMBL10000882 0.85 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.85 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB

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-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2013-08-15 — — US disclosed
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2013-08-15 — — US disclosed
WO-2012022932-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2012-02-23 — — WO 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-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF QPCT, CBR3, SSTR5 MEN1 495/4885BLM 3276/4885KMT2A 3205/4885

“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.

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