SCHEMBL7112057

SCHEMBL7112057

Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CTSB P07858 2/20 0.54
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNJ11 Q14654 2/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 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
SCHEMBL7112387 0.77 KCNJ11 (0.66) MAPTALDH1A1HPGDKCNJ11ABCC9
SCHEMBL7113364 0.75 KDM4E (0.75) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL8687725 0.74 CTSB (0.77) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL7117432 0.74 KDM4E (0.73) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL15346485 0.73 CTSB (0.65) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL9386016 0.73 CTSB (0.69) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL7115687 0.72 MEN1 (0.65) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL7115829 0.71 KDM4E (0.67) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL22234054 0.70 CTSB (0.65) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL3609722 0.70 CTSB (1.00) MAPTKDM4EMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 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-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 MAPT 1450/4885KDM4E 1005/4885MEN1 982/4885

“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.