SCHEMBL3960774

SCHEMBL3960774

O=Cc1cc(Oc2ccc(F)cc2F)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 3/20 0.48
▸ AR P10275 1/20 0.43
▸ MAPK14 Q16539 2/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TRPA1 O75762 3/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ GCK P35557 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
SCHEMBL13743676 0.82 HSPB1 (0.51) HSPB1ARMAPK14SCN4AALDH1A1
SCHEMBL13743950 0.80 HSPB1 (0.46) HSPB1ARMAPK14SCN4AALDH1A1
SCHEMBL30295532 0.77 ERN1 (0.42) ALDH1A1KMT2AMEN1LMNA
SCHEMBL15273621 0.77 ERN1 (0.42) ALDH1A1KMT2AMEN1LMNA
SCHEMBL6142763 0.76 HSPB1 (0.58) HSPB1ARMAPK14SCN4AALDH1A1
SCHEMBL275968 0.76 HSPB1 (0.46) HSPB1ALDH1A1HTTTRPA1KMT2A
SCHEMBL5276414 0.76 HSPB1 (0.46) HSPB1ALDH1A1HTTTRPA1KMT2A
SCHEMBL13715381 0.75 HSPB1 (0.47) HSPB1ARMAPK14SCN4APOLB
SCHEMBL18570698 0.74 SCN8A (0.47) HSPB1ARALDH1A1HTTTRPA1
SCHEMBL13743619 0.74 HSPB1 (0.40) HSPB1ARMAPK14ALDH1A1HTT

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-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 — — US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 — — US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 — — US disclosed
US-20060199796-A1 Substituted benzofused heterocycles AMGEN INC. (US) 2006-09-07 — — 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-20060199796-A1 Substituted benzofused heterocycles GPR119, SDHA, OGDH HSPB1 3323/4885AR 1869/4885MAPK14 2997/4885

“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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