SCHEMBL4259902

SCHEMBL4259902

O=C(O)Nc1cnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP19A1 P11511 3/20 0.45
▸ TSHR P16473 2/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGIR P43119 2/20 0.39
▸ KCNJ6 P48051 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
SCHEMBL13931458 0.80 CYP19A1 (0.42) ALDH1A1CYP19A1TSHRPOLBSMN1; SMN2
SCHEMBL3493878 0.78 ALDH1A1 (0.54) ALDH1A1CYP19A1TSHRRECQLPOLB
SCHEMBL5393595 0.75 ALDH1A1 (0.45) ALDH1A1CYP19A1TSHRRECQLLMNA
SCHEMBL4265207 0.74 NOTUM (0.48) ALDH1A1TSHRPOLBLMNAGAA
SCHEMBL3491679 0.73 ALDH1A1 (0.65) ALDH1A1CYP19A1TSHRPOLBLMNA
SCHEMBL5381957 0.73 RECQL (0.46) ALDH1A1CYP19A1TSHRRECQLLMNA
SCHEMBL7593612 0.72 CYP19A1 (0.46) ALDH1A1CYP19A1TSHRRECQLPOLB
SCHEMBL6596242 0.72 GAA (0.57) ALDH1A1CYP19A1TSHRRECQLGAA
SCHEMBL6596244 0.72 GAA (0.57) ALDH1A1CYP19A1TSHRRECQLGAA
SCHEMBL5393696 0.72 RECQL (0.49) ALDH1A1CYP19A1TSHRRECQLPOLB

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 — — US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 — — EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 ALDH1A1 435/4885CYP19A1 956/4885TSHR 1327/4885

“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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