SCHEMBL13879563

SCHEMBL13879563

O=C1NC(CCc2ccccc2)C(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMO Q99835 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAS2R8 Q9NYW2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 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
SCHEMBL11569757 0.90 GAA (0.57) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879452 0.89 ALDH1A1 (0.54) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879411 0.86 ALDH1A1 (0.52) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879473 0.83 NR1H3 (0.51) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879459 0.81 ALDH1A1 (0.61) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879400 0.77 GRM2 (0.44) ALDH1A1SMOCYP1A2CYP3A4CYP2C19
SCHEMBL11612591 0.76 KMT2A (0.48) ALDH1A1SMOGAAMEN1KMT2A
SCHEMBL13879425 0.76 ALDH1A1 (0.50) ALDH1A1GAATAS2R8L3MBTL1MEN1
SCHEMBL13879503 0.75 ALDH1A1 (0.77) ALDH1A1GAALMNASMN1; SMN2L3MBTL1
SCHEMBL11398860 0.74 GAA (0.74) ALDH1A1GAACYP1A2CYP3A4CYP2C19

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 ALDH1A1 1500/4885SMO 3178/4885GAA 463/4885

“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.