SCHEMBL5322795

SCHEMBL5322795

CN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 8/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 4/20 0.60
NPSR1 Q6W5P4 1/20 0.54
SIRT6 Q8N6T7 4/20 0.54
HTR6 P50406 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL5324355 0.88 MAPT (0.63) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL30198563 0.88 MAPT (0.63) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL28038246 0.86 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL22094803 0.84 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL3538126 0.84 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL5374258 0.84 MAPT (0.48) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL27646270 0.83 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL6125268 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL10359737 0.83 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5201850 0.83 ALDH1A1 (0.75) ALDH1A1MAPTCYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
EP-4153576-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 EP disclosed
CN-115836056-A NOTCH inhibitors and uses thereof STEMSYNERGY疗法有限责任公司 2023-03-21 CN disclosed
WO-2021237112-A1 NOTCH INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ALDH1A1 2288/4885MAPT 3735/4885CYP1A2 4135/4885

“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.