SCHEMBL6501845

SCHEMBL6501845

Cc1cccc(CN2CCc3cc(NC(=O)C4=C(c5ccc(C(F)(F)F)cc5)CCCC4)ccc3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PLAU P00749 1/20 0.46
ACACB O00763 1/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TNF P01375 4/20 0.44
NOD2 Q9HC29 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 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
SCHEMBL6491162 0.90 NOD1 (0.48) NOD1LMNASMN1; SMN2PLAUACACB
SCHEMBL6498359 0.90 TNF (0.49) NOD1ACACBTNFNOD2MAPT
SCHEMBL6498841 0.88 CLPP (0.52) NOD1ACACBHIF1AEPAS1MEN1
SCHEMBL6490947 0.85 HIF1A (0.51) LMNASMN1; SMN2UBE2MDCUN1D1HIF1A
SCHEMBL6497091 0.85 PRKAA2 (0.52) NOD1LMNASMN1; SMN2PLAUACACB
SCHEMBL6489620 0.84 ABCB1 (0.51) NOD1HIF1AEPAS1TNF
SCHEMBL6489208 0.83 NOD1 (0.41) NOD1LMNASMN1; SMN2PLAUACACB
SCHEMBL6491779 0.81 ACACB (0.43) ACACBMEN1KMT2A
SCHEMBL6499211 0.81 MEN1 (0.42) NOD1SMN1; SMN2ACACBHIF1AEPAS1
SCHEMBL6498924 0.81 SRPK1 (0.44) NOD1ACACBUBE2MDCUN1D1HIF1A

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 NOD1 1072/4885LMNA 629/4885SMN1; SMN2 1921/4885

“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.