SCHEMBL11975455

SCHEMBL11975455

CC(C)(C)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 5/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC6A9 P48067 3/20 0.34
▸ SLC6A5 Q9Y345 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL3513303 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL10152684 0.78 MAPT (0.46) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL22471423 0.76 MAPT (0.59) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL4383340 0.74 MAPT (0.52) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL28196822 0.74 ALDH1A1 (0.46) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL18876391 0.73 MAPT (0.51) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL14851247 0.72 MAPT (0.54) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL17422247 0.71 MAPT (0.55) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL28980384 0.71 ALDH1A1 (0.44) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL2448576 0.71 MAPT (0.64) MAPTALDH1A1LMNATHRBKMT2A

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-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 — — 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-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 MAPT 4600/4885ALDH1A1 317/4885LMNA 3275/4885

“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.

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