SCHEMBL4908494

SCHEMBL4908494

CC(=O)Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 4/20 0.52
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 4/20 0.50
PDE7A Q13946 1/20 0.47
KMT2A Q03164 3/20 0.47
KCNMA1 Q12791 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 3/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45

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
SCHEMBL571816 0.87 MAPT (0.64) ALDH1A1MAPTNPSR1TDP1ATM
SCHEMBL30585155 0.87 MAPT (0.64) ALDH1A1MAPTNPSR1TDP1ATM
SCHEMBL1067105 0.85 TDP1 (0.53) ALDH1A1MAPTNPSR1TDP1ATM
SCHEMBL1067110 0.85 TDP1 (0.53) ALDH1A1MAPTNPSR1TDP1ATM
SCHEMBL17762761 0.85 HDAC1 (0.65) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL20560674 0.84 TDP1 (0.51) ALDH1A1MAPTNPSR1TDP1ATM
SCHEMBL22535975 0.82 CYP3A4 (0.55) ALDH1A1MAPTNPSR1TDP1HTT
SCHEMBL11215556 0.82 NPSR1 (0.62) ALDH1A1MAPTNPSR1TDP1HTT
SCHEMBL10790188 0.82 HTT (0.68) ALDH1A1MAPTNPSR1TDP1HTT
SCHEMBL8139482 0.82 TDP1 (0.46) ALDH1A1MAPTNPSR1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130863-A2 SUBSTITUTED BENZIMIDAZOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-30 WO disclosed
WO-2008130863-A2 SUBSTITUTED BENZIMIDAZOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-30 WO disclosed
US-20080255200-A1 SUBSTITUTED BENZIMIDAZOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-20080255200-A1 SUBSTITUTED BENZIMIDAZOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-20080255200-A1 SUBSTITUTED BENZIMIDAZOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed
US-4544400-A HERBICIDES ZOECON CORPORATION (US) 1985-10-01 US disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP 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-20080255200-A1 SUBSTITUTED BENZIMIDAZOLES ABCB11, CYP2C19, HRH2 ALDH1A1 277/4885MAPT 4338/4885NPSR1 2719/4885

“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.