SCHEMBL20257166

SCHEMBL20257166

CCCCCCC(CC)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.43
MGLL Q99685 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ASAH2 Q9NR71 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
SCHEMBL24294068 0.94 KCNH2 (0.52) KCNH2ALDH1A1MAPTMGLLLOXL2
SCHEMBL22623273 0.91 KCNH2 (0.50) KCNH2ALDH1A1MAPTMGLLLOXL2
SCHEMBL8094802 0.90 KCNH2 (0.49) KCNH2ALDH1A1MAPTMGLLLOXL2
Hydrochloric Acid SCHEMBL392352 0.87 KCNH2 (0.47) KCNH2ALDH1A1MAPTMGLLLOXL2
SCHEMBL8087727 0.85 BDKRB2 (0.50) KCNH2ALDH1A1MAPTMGLLL3MBTL1
SCHEMBL18071831 0.84 LOXL2 (0.52) KCNH2ALDH1A1MAPTLOXL2CYP2C19
SCHEMBL9710521 0.82 KCNH2 (0.50) KCNH2ALDH1A1MAPTMGLLLOXL2
SCHEMBL29199056 0.82 KCNH2 (0.50) KCNH2ALDH1A1MAPTMGLLLOXL2
SCHEMBL28807880 0.79 ALDH1A1 (0.49) KCNH2ALDH1A1MGLLPOLBMEN1
SCHEMBL8815113 0.78 KCNH2 (0.49) KCNH2ALDH1A1MAPTMGLLLOXL2

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-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS, LLC 2018-06-14 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-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTC4S, LTB4R KCNH2 2654/4885ALDH1A1 490/4885MAPT 4534/4885

“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.