SCHEMBL20798413

SCHEMBL20798413

O=C(CCCCCCn1cc(-c2ccccc2)nn1)ON1C(=O)CCC1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 19/20 0.60
▸ HDAC4 P56524 19/20 0.60
▸ HDAC1 Q13547 19/20 0.60
▸ HDAC7 Q8WUI4 19/20 0.60
▸ HDAC2 Q92769 19/20 0.60
▸ HDAC10 Q969S8 19/20 0.60
▸ HDAC11 Q96DB2 19/20 0.60
▸ HDAC8 Q9BY41 19/20 0.60
▸ HDAC6 Q9UBN7 19/20 0.60
▸ HDAC9 Q9UKV0 19/20 0.60
▸ HDAC5 Q9UQL6 19/20 0.60
▸ NAMPT P43490 1/20 0.47

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
SCHEMBL18373084 0.89 HDAC8 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18373098 0.89 HDAC8 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18373085 0.88 HDAC8 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24276656 0.87 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18356849 0.83 HDAC8 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18356650 0.83 HDAC8 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18356775 0.82 HDAC8 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19851582 0.80 HDAC8 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24276602 0.78 EP300 (0.42) HDAC1
SCHEMBL24276658 0.78 EPHX2 (0.46) HDAC1

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-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-03-12 — — 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-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HDAC3 1821/4885HDAC4 1637/4885HDAC1 683/4885

“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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