SCHEMBL4603436

SCHEMBL4603436

O=C(O)c1cc(C(F)(F)F)cc(Sc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
HTT P42858 3/20 0.57
LMNA P02545 2/20 0.57
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
GAA P10253 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
BCL2L1 Q07817 1/20 0.43
PDE7A Q13946 2/20 0.43
PDE7B Q9NP56 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4604518 0.79 LMNA (0.46) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL8108703 0.76 ALDH1A1 (0.53) MAPTHTTLMNAGAAAKR1B1
SCHEMBL11709910 0.76 KCNQ3 (0.56) MAPTHTTLMNAGAAAKR1B1
SCHEMBL11709219 0.74 MAPT (0.69) MAPTHTTLMNAABCC9ABCC8
Methylene Chloride SCHEMBL8211467 0.72 ALDH1A1 (0.48) MAPTHTTLMNAGAAMEN1
SCHEMBL7824348 0.71 MAPT (0.77) MAPTHTTLMNAGAAAKR1B1
SCHEMBL7920060 0.70 PDE7A (0.60) MAPTHTTLMNAGAAMEN1
SCHEMBL8533504 0.69 MAPT (0.56) MAPTHTTLMNAGAAMEN1
SCHEMBL11659683 0.69 MAPT (0.58) MAPTHTTLMNAABCC9ABCC8
SCHEMBL27830765 0.68 TSHR (0.50) MAPTHTTLMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 MAPT 3698/4885HTT 3670/4885LMNA 4153/4885

“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.