Sugi Predict

Sugi Predict / Compounds / SCHEMBL5324355

SCHEMBL5324355

SCHEMBL5324355

CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.63
▸ ALDH1A1 P00352 5/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ LMNA P02545 5/20 0.60
▸ RAB9A P51151 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ PKM P14618 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ WDR5 P61964 1/20 0.52
▸ GFER P55789 1/20 0.52

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
SCHEMBL30198563 1.00 MAPT (0.63) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5322795 0.88 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL28038606 0.86 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3485338 0.84 GAA (0.69) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1110499 0.84 GAA (0.69) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3313887 0.83 GAA (0.72) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5319286 0.83 SMN1; SMN2 (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5989854 0.83 MAPT (0.72) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL16697818 0.82 MAPT (0.65) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL16096398 0.82 MAPT (0.72) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6

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 9 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
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 — — US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 — — US disclosed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 — — WO disclosed
WO-1998031669-A1 NOVEL ARYLPIPERAZINE DERIVED FROM PIPERIDINE AS ANTIDEPRESSANT MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-07-23 — — 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 MAPT 3735/4885ALDH1A1 2288/4885SMN1; SMN2 4659/4885

“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.