SCHEMBL25138166

SCHEMBL25138166

O=C(c1ccc2nc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(=O)N8CCN(CCO)CC8)cc7[nH]6)cc5)o4)cc3)[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
CHEK2 O96017 9/20 0.48
FGFR1 P11362 3/20 0.46
KDR P35968 3/20 0.46
FGFR2 P21802 2/20 0.46
FGFR3 P22607 2/20 0.46
TERT O14746 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
PDGFRB P09619 1/20 0.44
NR4A2 P43354 1/20 0.43

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
SCHEMBL25138202 0.91 HDAC3 (0.56) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL25138043 0.88 FGFR1 (0.55) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14091359 0.86 MGLL (0.46) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14115822 0.85 MGLL (0.49) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14115798 0.85 HDAC6 (0.49) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL25138167 0.83 CHEK2 (0.55) MGLLCHEK2
SCHEMBL14091381 0.82 CHEK2 (0.46) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14091399 0.81 MGLL (0.46) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14090244 0.79 MGLL (0.50) MGLLHDAC6HDAC3HDAC1HDAC2
SCHEMBL14090345 0.78 AMY1A (0.49) MGLLHDAC6HDAC3HDAC1HDAC2

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-20230117938-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES, DISORDERS AND CONDITIONS INVOLVING TRINUCLEOTIDE REPEATS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 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-20230117938-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES, DISORDERS AND CONDITIONS INVOLVING TRINUCLEOTIDE REPEATS SMN1; SMN2, TRDMT1, HNRNPA2B1 MGLL 4466/4885HDAC6 590/4885HDAC3 3023/4885

“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.