SCHEMBL19000683

SCHEMBL19000683

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(CC(=O)NCCOCCOCCNC(=O)/C=C/c4ccc(O)cc4)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.50
▸ NPY4R P50391 3/20 0.48
▸ CHRM1 P11229 3/20 0.47
▸ AVPR2 P30518 8/20 0.43
▸ FPR2 P25090 4/20 0.41
▸ OXTR P30559 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL19000676 0.90 GBA1 (0.44) TGM2NPY4RCHRM1MEN1BLM
SCHEMBL19000681 0.87 TGM2 (0.43) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL19000689 0.84 FOLH1 (0.39) AVPR2OXTRMEN1USP2POLB
SCHEMBL22963159 0.80 TGM2 (0.53) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL18087519 0.78 TGM2 (0.62) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL18067135 0.77 TGM2 (0.60) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL12119403 0.77 TGM2 (0.61) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL19000687 0.76 GBA1 (0.44) MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL13737398 0.76 TGM2 (0.60) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL27005449 0.76 CA12 (0.39) AVPR2OXTRMEN1USP2POLB

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-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES DAKO DENMARK APS (DK) 2017-06-22 — — 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-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES MPO, TPO, TYR TGM2 407/4885NPY4R 1835/4885CHRM1 813/4885

“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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