SCHEMBL4331112

SCHEMBL4331112

NC(=O)CCC(N)(C(=O)CCC1CCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KLK7 P49862 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KEAP1 Q14145 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
SCHEMBL29730901 0.76 MAPT (0.46) HTTKMT2ASMN1; SMN2LMNACHRM3
SCHEMBL4331121 0.72 EPHX2 (0.45) ALDH1A1HTTNPSR1KMT2AMEN1
SCHEMBL930717 0.70 HPGD (0.50) ALDH1A1KMT2AMEN1TDP1HPGD
SCHEMBL885302 0.68 HPGD (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL931218 0.68 HPGD (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4153935 0.68 CHRM3 (0.55) HTTKMT2ATDP1LMNACHRM3
Benzoic Acid SCHEMBL5787919 0.67 KMT2A (0.50) ALDH1A1HTTNPSR1KMT2AMEN1
SCHEMBL13865463 0.67 KIF11 (0.55) HTTKMT2A
SCHEMBL5999930 0.67 EPHX2 (0.45) HPGDNPC1RAB9ACHRM3CHRM2
Hydrochloric Acid SCHEMBL5392447 0.67 HPGD (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 ALDH1A1 961/4885HTT 781/4885NPSR1 231/4885

“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.