Sugi Predict

Sugi Predict / Compounds / SCHEMBL3364008

SCHEMBL3364008

SCHEMBL3364008

O=[N+]([O-])c1ccc(F)cc1CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ THRB P10828 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH3A1 P30838 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3361535 0.82 KDM1A (0.59) ALDH1A1MAPTTHRBMAPK1KDM1A
SCHEMBL1420705 0.79 SMN1; SMN2 (0.45) ALDH1A1TDP1KDM1ASMN1; SMN2KDM4E
SCHEMBL3364300 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1TDP1CYP3A4
SCHEMBL5191387 0.70 TDP1 (0.49) ALDH1A1MAPTMAPK1TDP1ATM
SCHEMBL3359904 0.70 SMN1; SMN2 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3360454 0.70 SMN1; SMN2 (0.63) ALDH1A1TDP1KDM1ASMN1; SMN2KDM4E
SCHEMBL29362511 0.69 TDP1 (0.60) ALDH1A1MAPTMAPK1TDP1ATM
SCHEMBL310839 0.69 TDP1 (0.60) ALDH1A1MAPTMAPK1TDP1ATM
SCHEMBL1420610 0.68 POLB (0.60) ALDH1A1MAPTTDP1KDM1ACYP3A4
SCHEMBL18166487 0.68 POLB (0.60) ALDH1A1MAPTTDP1KDM1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP claimed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US claimed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP claimed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP 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 (3 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 ALDH1A1 4453/4885MAPT 1849/4885THRB 1173/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 ALDH1A1 4539/4885MAPT 1644/4885THRB 952/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 ALDH1A1 4539/4885MAPT 1644/4885THRB 952/4885

“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.