SCHEMBL6779984

SCHEMBL6779984

O=C(c1cc2ccccc2s1)N(Cc1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 3/20 0.44
▸ BCL2L1 Q07817 1/20 0.42
▸ PDK1 Q15118 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.37

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
SCHEMBL6780065 0.89 NPY2R (0.42) NPY2RBCL2L1PDK1ALDH1A1TBXAS1
SCHEMBL6779489 0.78 CLK1 (0.48) NPY2RALDH1A1LMNAHDAC1HDAC2
SCHEMBL6785514 0.74 LTB4R2 (0.46) PDK1ALDH1A1SMN1; SMN2LTB4R2MAPKAPK2
SCHEMBL6775116 0.72 MAPKAPK2 (0.41) PDK1MAPK14LTB4R2MAPKAPK2GPBAR1
SCHEMBL6775891 0.72 PDK1 (0.47) PDK1ALDH1A1SMN1; SMN2LTB4R2
SCHEMBL6775113 0.71 MAPKAPK2 (0.41) PDK1MAPK14LTB4R2MAPKAPK2GPBAR1
SCHEMBL6774316 0.71 ALDH1A1 (0.51) PDK1ALDH1A1LMNASMN1; SMN2LTB4R2
SCHEMBL6780805 0.70 KMT2A (0.47) LMNAMAPK14LTB4R2
SCHEMBL6783999 0.70 PTGER1 (0.47) PDK1LTB4R2
SCHEMBL6778429 0.70 MAPT (0.50) PDK1ALDH1A1LMNALTB4R2

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
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT NPY2R 4051/4885BCL2L1 4053/4885PDK1 1380/4885

“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.

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