SCHEMBL13879639

SCHEMBL13879639

CN(C)c1ccc(/C=C/C(=O)NCCN2CCOCC2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.55
PYGL P06737 11/20 0.53
GSK3B P49841 1/20 0.48

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
SCHEMBL13879640 0.81 PYGL (0.62) KDM4EALDH1A1HPGDPYGL
SCHEMBL13879604 0.80 CYP3A4 (0.69) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL13879634 0.78 RAB9A (0.73) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13879643 0.73 ITGB2 (0.68) ALDH1A1LMNAPYGL
SCHEMBL8847705 0.73 ALDH1A1 (0.72) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL17219685 0.72 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15854248 0.72 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL27885159 0.72 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL4409431 0.71 KDM4E (0.80) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL17219490 0.70 SMN1; SMN2 (0.84) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 WO 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 KDM4E 797/4885ALDH1A1 1500/4885SMN1; SMN2 2091/4885

“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.