SCHEMBL6501992

SCHEMBL6501992

O=C(Nc1ccc(NCCc2ccccn2)cc1)C1=C(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDR P35968 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
HPGD P15428 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SLC6A3 Q01959 2/20 0.41
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6503827 0.91 HTT (0.50) CNR1SMN1; SMN2KDM4EGAANPC1
SCHEMBL6489289 0.90 L3MBTL1 (0.46) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6491912 0.89 RAB9A (0.48) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6493547 0.89 L3MBTL1 (0.45) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6490871 0.89 L3MBTL1 (0.45) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6490864 0.89 L3MBTL1 (0.45) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6487662 0.89 TRPV1 (0.49)
SCHEMBL6487298 0.88 L3MBTL1 (0.46) CNR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6487840 0.88 TRPV1 (0.48)
SCHEMBL6500678 0.88 TRPV1 (0.48)

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 CNR1 102/4885SMN1; SMN2 1921/4885KDM4E 2286/4885

“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.