SCHEMBL13879634

SCHEMBL13879634

CN(C)c1ccc(/C=C/C(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.62
ITGAL P20701 9/20 0.61
ITGB2 P05107 8/20 0.61
ICAM1 P05362 8/20 0.61
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAOB P27338 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL13879635 0.88 ALDH1A1 (0.56) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10459440 0.84 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10459439 0.84 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL7693060 0.81 RAB9A (0.78) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL19508587 0.80 HSD17B3 (0.54) RAB9ANPC1TDP1L3MBTL1ALDH1A1
SCHEMBL13879638 0.80 NPC1 (0.62) RAB9ANPC1TDP1ITGALALDH1A1
SCHEMBL13879639 0.78 KDM4E (0.64) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10458324 0.77 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10458323 0.77 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL13879636 0.77 NPC1 (0.44) RAB9ANPC1TDP1ITGALITGB2

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 RAB9A 3148/4885NPC1 680/4885TDP1 3859/4885

“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.