SCHEMBL4201420

SCHEMBL4201420

COc1ccccc1-n1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.53
ALDH1A1 P00352 7/20 0.52
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL4205517 0.88 KCNN4 (0.56) KCNN4ALDH1A1MAPTTSHRHTT
SCHEMBL4216678 0.86 KCNN4 (0.40) KCNN4ALDH1A1MAPTTSHRHTT
SCHEMBL4210125 0.85 KCNN4 (0.49) KCNN4ALDH1A1NPSR1
SCHEMBL4202329 0.85 MAPK1 (0.51) KCNN4ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4203059 0.83 ALDH1A1 (0.48) KCNN4ALDH1A1TSHRLMNAMEN1
SCHEMBL2005884 0.82 KCNN4 (0.56) KCNN4ALDH1A1MAPTTSHRHTT
SCHEMBL4205313 0.82 ALDH1A1 (0.41) KCNN4ALDH1A1TSHRMEN1KMT2A
SCHEMBL4196490 0.82 ALDH1A1 (0.40) KCNN4ALDH1A1TSHRKMT2ANPSR1
SCHEMBL4205310 0.81 KCNN4 (0.41) KCNN4ALDH1A1NPSR1
SCHEMBL4211677 0.75 KCNN4 (0.66) KCNN4ALDH1A1MAPTTSHRHTT

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-7579480-B2 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-08-25 US disclosed
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-03-15 US disclosed
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 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-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA KCNN4 3193/4885ALDH1A1 4/4885MAPT 3279/4885

“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.