SCHEMBL2944389

SCHEMBL2944389

CC(CF)(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
KIF11 P52732 1/20 0.32
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
AGTR1 P30556 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TSHR P16473 1/20 0.31
NR3C2 P08235 1/20 0.31
CNR1 P21554 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL9768400 0.89 CYP2C19 (0.48) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL4302387 0.78 CYP2C19 (0.52) CYP2C19HIF1ATAAR1ALDH1A1MAPT
SCHEMBL10950133 0.77 TAAR1 (0.48) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL26929273 0.74 CYP2C19 (0.44) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL27540234 0.72 CYP2C19 (0.47) CYP2C19HIF1ATAAR1ALDH1A1MAPT
SCHEMBL10937111 0.71 CYP2C19 (0.35) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL10812212 0.69 ALDH1A1 (0.38) CYP2C19HIF1AALDH1A1LMNAKMT2A
SCHEMBL8331186 0.69 CYP19A1 (0.42) CYP2C19HIF1AALDH1A1LMNA
SCHEMBL8977864 0.69 ALDH1A1 (0.38) CYP2C19HIF1AALDH1A1LMNAKIF11
SCHEMBL9768399 0.68 PTPRC (0.39) TAAR1ALDH1A1LMNAMAPTKMT2A

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-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 CYP2C19 36/4885HIF1A 164/4885TAAR1 193/4885

“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.