SCHEMBL20272178

SCHEMBL20272178

COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
KCNJ1 P48048 1/20 0.54
TACR1 P25103 1/20 0.52
ACHE P22303 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL20258199 0.87 KCNJ1 (0.58) MAPTKCNJ1TACR1KDM4EALDH1A1
SCHEMBL15347339 0.85 ALDH1A1 (0.59) MAPTACHEKDM4EALDH1A1LMNA
SCHEMBL7563807 0.83 ALDH1A1 (0.61) KCNJ1TACR1KDM4EALDH1A1LMNA
SCHEMBL922716 0.82 KCNJ1 (0.74) MAPTKCNJ1TACR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7564284 0.82 KCNJ1 (0.58) KCNJ1TACR1KDM4EALDH1A1LMNA
SCHEMBL7422612 0.80 TACR1 (0.58) KCNJ1TACR1KDM4EALDH1A1LMNA
SCHEMBL20272181 0.80 KDM4E (0.56) MAPTTACR1KDM4EALDH1A1LMNA
SCHEMBL15359665 0.80 KDM4E (0.65) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL8718280 0.79 KCNJ1 (0.61) MAPTKCNJ1TACR1KDM4EALDH1A1
SCHEMBL8715361 0.79 KCNJ1 (0.55) KCNJ1TACR1KDM4EALDH1A1LMNA

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-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 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-10000452-B1 Quinolone-based compounds, formulations, and uses thereof RECQL, NQO1, NQO2 MAPT 1177/4885KCNJ1 3724/4885TACR1 4625/4885

“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.