SCHEMBL4089081

SCHEMBL4089081

COc1cccc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
RAF1 P04049 1/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
PIN1 Q13526 1/20 0.48
FBP1 P09467 1/20 0.46
VCAM1 P19320 3/20 0.46
ABCB1 P08183 1/20 0.45
MAOB P27338 1/20 0.45
ALPG P10696 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5237976 0.84 ALDH1A1 (0.54) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL541479 0.82 ALDH1A1 (0.68) MAPTHPGDALDH1A1LMNARAF1
SCHEMBL29655122 0.82 TDP1 (0.65) MAPTHPGDALDH1A1LMNANPC1
SCHEMBL4418072 0.82 ABCG2 (0.54) MAPTALDH1A1LMNANPC1CASP3
SCHEMBL5992360 0.80 VCAM1 (0.60) MAPTALDH1A1MAPK1VCAM1TDP1
SCHEMBL1897629 0.79 CRHBP (0.58) MAPTALDH1A1LMNAVCAM1TDP1
SCHEMBL5233562 0.79 NPC1 (0.47) MAPTALDH1A1LMNANPC1CASP3
SCHEMBL6225598 0.79 FBP1 (0.55) MAPTHPGDNPC1CASP3RAB9A
SCHEMBL2461199 0.79 VCAM1 (0.58) MAPTALDH1A1MAPK1VCAM1TDP1
SCHEMBL29936585 0.78 MAOB (0.59) MAPTALDH1A1LMNANPC1CASP3

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO 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 MAPT 1880/4885HPGD 3497/4885ALDH1A1 4089/4885

“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.