SCHEMBL23940224

SCHEMBL23940224

CC(C)(C)n1cc(C(=O)N2CCOCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 2/20 0.48
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL23940213 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23940225 0.82 HDAC6 (0.56) ALDH1A1HDAC1HDAC6SMN1; SMN2HPGD
SCHEMBL3924368 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL15458754 0.76 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL23940238 0.76 HTR3A (0.47) SMN1; SMN2
SCHEMBL7121916 0.74 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2GAAHPGDMEN1
SCHEMBL23940218 0.74 ATM (0.58) ALDH1A1SMN1; SMN2HPGDKDM4ECYP1A2
SCHEMBL13209353 0.73 NR4A2 (0.65) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL12372688 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAHPGDKMT2A
SCHEMBL1397315 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAHPGDKDM4E

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 ALDH1A1 2637/4885HDAC1 714/4885HDAC6 637/4885

“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.