SCHEMBL6727635

SCHEMBL6727635

O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
THRB P10828 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
IDO1 P14902 1/20 0.59
TOP1 P11387 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
POLB P06746 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
CSNK2A1 P68400 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
SCHEMBL18409235 0.90 NPC1 (0.68) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL10375202 0.90 ABCG2 (0.65) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL27544531 0.90 MAPT (0.57) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL6998883 0.87 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL28489642 0.86 MEN1 (0.60) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL6731942 0.86 MEN1 (0.60) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL27542883 0.81 MAPT (0.61) RAB9ANPC1ALDH1A1MAPTTHRB
SCHEMBL22604036 0.80 MAPK1 (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29526232 0.80 TSHR (0.67) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL2009026 0.80 TSHR (0.67) RAB9ANPC1ALDH1A1MAPTTDP1

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-20040110757-A1 Flt-1 ligands and their uses in the treatment of diseases regulatable by angiogenesis ARRHENIUS THOMAS (US) 2004-06-10 US disclosed
EP-1370250-A2 FLT-1 LIGANDS AND THEIR USES IN THE TREATMENT OF DISEASES REGULATABLE BY ANGIOGENESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP disclosed
WO-2002076438-A2 FLT-1 LIGANDS AND THEIR USES IN THE TREATMENT OF DISEASES REGULATABLE BY ANGIOGENESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-10-03 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-20040110757-A1 Flt-1 ligands and their uses in the treatment of diseases regulatable by angiogenesis FLT1, FLT4, TEK RAB9A 4327/4885NPC1 3232/4885ALDH1A1 757/4885

“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.