SCHEMBL21250340

SCHEMBL21250340

COC(=O)c1ccc(N(C)C2C=CC=C2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.57
▸ HCAR3 P49019 3/20 0.49
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 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
SCHEMBL21250392 0.84 VCAM1 (0.51) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL1110902 0.83 HCAR3 (0.70) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL21250378 0.82 HCAR3 (0.51) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL15618541 0.81 HTT (0.64) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL4205262 0.79 VCAM1 (0.59) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL9631242 0.75 VCAM1 (0.58) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL11976724 0.75 VCAM1 (0.57) VCAM1HCAR3HPGDALDH1A1NPSR1
SCHEMBL5734347 0.75 VCAM1 (0.68) VCAM1HPGDALDH1A1NPSR1PKM
SCHEMBL21250405 0.74 VCAM1 (0.53) VCAM1HCAR3HPGDALDH1A1PKM
SCHEMBL29441708 0.74 VCAM1 (0.53) VCAM1HCAR3HPGDALDH1A1NPSR1

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-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — 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-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS VCAM1 2825/4885HCAR3 3493/4885HPGD 3375/4885

“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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