SCHEMBL6377309

SCHEMBL6377309

CCCCc1cc2c(N3CCCC3)ccnc2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 7/20 0.61
EHMT1 Q9H9B1 7/20 0.61
NCF1 P14598 2/20 0.55
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
CHKA P35790 1/20 0.44
PDGFRB P09619 2/20 0.41
FLT3 P36888 1/20 0.41
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5037470 0.99 EHMT2 (0.60) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL5035797 0.91 EHMT2 (0.53) EHMT2EHMT1NCF1PKMALOX15
Hydrochloric Acid SCHEMBL5035774 0.90 EHMT2 (0.52) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL5042812 0.86 EHMT2 (0.48) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL5035782 0.86 EHMT2 (0.48) EHMT2EHMT1NCF1PKMALOX15
Hydrochloric Acid SCHEMBL5033237 0.85 EHMT2 (0.48) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL5036289 0.83 PKM (0.47) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL31457629 0.81 NCF1 (0.75) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL5033329 0.81 EHMT2 (0.44) EHMT2EHMT1NCF1PKMALOX15
SCHEMBL29354411 0.76 EHMT2 (0.70) EHMT2EHMT1NCF1PKMALOX15

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-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R EHMT2 4668/4885EHMT1 4759/4885NCF1 1052/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R EHMT2 4668/4885EHMT1 4759/4885NCF1 1052/4885

“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.