SCHEMBL4904895

SCHEMBL4904895

COc1ccc(NC(=O)C(C(C)C)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.58
MTNR1B P49286 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KLK7 P49862 2/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL2608943 0.89 HTT (0.70) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL18638757 0.86 HTT (0.71) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL147291 0.84 HTT (0.73) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL31185236 0.84 HTT (0.68) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL29279417 0.84 HTT (0.68) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL16981649 0.82 HTT (0.66) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL8930726 0.81 HTT (0.64) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL13255722 0.81 HTT (0.64) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL18877602 0.80 MTNR1B (0.61) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL16752846 0.80 MTNR1B (0.59) HTTRAB9ASMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US claimed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP claimed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 WO claimed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP disclosed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 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-20080112899-A1 Carboxamides and Their Use NQO2, CBR3, COX4I1 HTT 2702/4885RAB9A 3591/4885SMN1; SMN2 2027/4885

“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.