SCHEMBL6490877

SCHEMBL6490877

O=C(Nc1ccc2c(c1)CCN(Cc1nccs1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.45
SMO Q99835 2/20 0.45
SRPK1 Q96SB4 3/20 0.45
NR3C1 P04150 2/20 0.42
ACACB O00763 1/20 0.41
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NOD1 Q9Y239 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL6501870 0.84 SCN9A (0.42) ACACBHIF1AEPAS1NOD1ITGB3
SCHEMBL6488640 0.84 SRPK1 (0.51) MTTPSMOSRPK1NR3C1USP2
SCHEMBL6502283 0.83 NOD1 (0.40) MTTPACACBHIF1AEPAS1NOD1
SCHEMBL6498924 0.82 SRPK1 (0.44) SRPK1ACACBHIF1AEPAS1NOD1
SCHEMBL6489208 0.81 NOD1 (0.41) ACACBHIF1AEPAS1NOD1ITGB3
SCHEMBL6497091 0.81 PRKAA2 (0.52) ACACBHIF1AEPAS1NOD1TNF
SCHEMBL6489158 0.80 SMO (0.46) MTTPSMO
SCHEMBL6969823 0.80 MTTP (0.43) MTTPSMOSRPK1NR3C1ACACB
SCHEMBL6501845 0.80 NOD1 (0.47) ACACBCYP3A4HIF1AEPAS1CYP2D6
SCHEMBL6491162 0.80 NOD1 (0.48) ACACBCYP3A4HIF1AEPAS1NOD1

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 MTTP 677/4885SMO 2580/4885SRPK1 3887/4885

“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.