SCHEMBL4089988

SCHEMBL4089988

O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 5/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.52
NAMPT P43490 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
P2RX1 P51575 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL8031444 0.84 MEN1 (0.56) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL2239611 0.82 HPGD (0.64) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL28799461 0.80 LMNA (0.58) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL11731380 0.79 NAMPT (0.52) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL5187322 0.78 MEN1 (0.85) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL4090359 0.78 HTT (0.60) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL4090362 0.78 HTT (0.60) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL4096062 0.78 PTPN1 (0.58) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL2241850 0.78 ALDH1A1 (0.60) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL28649332 0.77 NAMPT (0.85) HTTALDH1A1MEN1KMT2AMAPT

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HTT 70/4885ALDH1A1 4089/4885NPSR1 4513/4885

“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.