SCHEMBL23940201

SCHEMBL23940201

Cn1cc(C(=O)NCC(C)(C)O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 1/20 0.56
LMNA P02545 3/20 0.55
NR4A2 P43354 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
MITF O75030 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.54
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
POLB P06746 1/20 0.51
BRD4 O60885 1/20 0.50
HDAC3 O15379 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL23940202 0.85 LMNA (0.46) HDAC1HDAC2LMNAALDH1A1BCHE
SCHEMBL22810517 0.85 LMNA (0.46) HDAC1HDAC2LMNAALDH1A1HTT
SCHEMBL23940250 0.82 BRD4 (0.71) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL28968558 0.80 HDAC1 (0.58) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL6586386 0.79 NR4A2 (0.64) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL23940136 0.79 CNR1 (0.46) BRD4
SCHEMBL4104715 0.79 ALDH1A1 (0.64) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL23940223 0.79 HDAC1 (0.57) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL23940245 0.78 ALDH1A1 (0.83) HDAC1HDAC2LMNANR4A2ALDH1A1
SCHEMBL1093252 0.77 BRD4 (0.69) HDAC1HDAC2LMNANR4A2ALDH1A1

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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 HDAC1 714/4885HDAC2 327/4885LMNA 4049/4885

“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.