SCHEMBL13103120

SCHEMBL13103120

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCCCC(=O)O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.61
▸ NPY4R P50391 3/20 0.54
▸ FPR2 P25090 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ CHRM1 P11229 1/20 0.48
▸ AVPR2 P30518 4/20 0.46
▸ TLR7 Q9NYK1 1/20 0.43
▸ APLNR P35414 2/20 0.42

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
SCHEMBL12870952 0.96 TGM2 (0.60) TGM2NPY4RFPR2MEN1USP2
SCHEMBL18732968 0.94 TGM2 (0.61) TGM2NPY4RFPR2MEN1USP2
SCHEMBL13114579 0.94 TGM2 (0.58) TGM2NPY4RFPR2MEN1USP2
SCHEMBL3504540 0.92 TGM2 (0.60) TGM2NPY4RFPR2MEN1USP2
SCHEMBL17126766 0.92 TGM2 (0.60) TGM2NPY4RFPR2MEN1USP2
SCHEMBL18087519 0.91 TGM2 (0.62) TGM2NPY4RFPR2MEN1USP2
SCHEMBL13895487 0.90 TGM2 (0.57) TGM2NPY4RFPR2MEN1USP2
Hydrochloric Acid SCHEMBL13736180 0.89 TGM2 (0.57) TGM2NPY4RFPR2MEN1USP2
SCHEMBL18067135 0.88 TGM2 (0.60) TGM2NPY4RFPR2MEN1USP2
SCHEMBL13135018 0.88 TGM2 (0.54) TGM2NPY4RFPR2MEN1USP2

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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF TGM2 1593/4885NPY4R 4263/4885FPR2 3326/4885

“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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