SCHEMBL6779138

SCHEMBL6779138

O=C(Nc1ccncc1)c1ccccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
CHRNB2 P17787 3/20 0.78
CHRNB4 P30926 3/20 0.78
CHRNA3 P32297 3/20 0.78
CHRNA4 P43681 3/20 0.78
POLB P06746 3/20 0.62
GAA P10253 2/20 0.62
HTT P42858 5/20 0.62
TYK2 P29597 3/20 0.62
JAK2 O60674 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
STAT3 P40763 1/20 0.62
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58
PRKCI P41743 1/20 0.57
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56

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
SCHEMBL7020626 0.95 ALDH1A1 (0.91) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1017796 0.88 CHRNB2 (1.00) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL29598779 0.86 CHRNB2 (0.96) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27946675 0.84 JAK2 (0.77) ALDH1A1POLBGAAHTTTYK2
SCHEMBL2444036 0.84 ALDH1A1 (0.72) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6774617 0.83 CHRNB2 (0.71) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6631304 0.83 CHRNB2 (0.89) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13948995 0.83 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12700205 0.81 ALDH1A1 (0.76) ALDH1A1POLBGAAHTTTYK2
SCHEMBL2571393 0.81 CHRNB2 (0.78) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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 ALDH1A1 646/4885CHRNB2 4762/4885CHRNB4 4763/4885

“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.