SCHEMBL6705898

SCHEMBL6705898

O=C(O)NCCc1ccc(CCl)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 5/20 0.42
PLAAT5 Q96KN8 5/20 0.42
PLAAT2 Q9NWW9 5/20 0.42
PLAAT4 Q9UL19 5/20 0.42
MCHR1 Q99705 1/20 0.39
ESRRG P62508 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
NUAK1 O60285 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
SCHEMBL6705572 0.86 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4MCHR1
SCHEMBL5260776 0.81 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL27944339 0.80 PLK4 (0.55) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL17646483 0.78 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL6706859 0.78 MCHR1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4MCHR1
SCHEMBL6708022 0.77 L3MBTL1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL17646473 0.76 CNR1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ESRRG
SCHEMBL19376791 0.75 HPGD (0.49) PLAAT3PLAAT5PLAAT2PLAAT4MCHR1
SCHEMBL15319511 0.75 CA12 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL250873 0.73 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R PLAAT3 4485/4885PLAAT5 3832/4885PLAAT2 4302/4885

“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.