SCHEMBL330446

SCHEMBL330446

Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
LMNA P02545 6/20 1.00
KDM4E B2RXH2 2/20 1.00
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 8/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
LGMN Q99538 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL31210318 1.00 ALDH1A1 (1.00) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL23850823 0.94 ALDH1A1 (0.89) ALDH1A1LMNAKDM4EPKML3MBTL1
Aniline SCHEMBL22169113 0.92 ALDH1A1 (0.84) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL28338201 0.88 ALDH1A1 (0.78) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL20336348 0.87 LMNA (0.77) ALDH1A1LMNAKDM4EL3MBTL1SMN1; SMN2
SCHEMBL330331 0.85 ALDH1A1 (0.73) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL5494223 0.85 ALDH1A1 (0.73) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL23851217 0.84 ALDH1A1 (0.72) ALDH1A1LMNAKDM4EPKML3MBTL1
SCHEMBL23429728 0.84 ALDH1A1 (0.72) ALDH1A1LMNAKDM4EL3MBTL1SMN1; SMN2
SCHEMBL5252021 0.84 ALDH1A1 (0.72) ALDH1A1LMNAKDM4EPKML3MBTL1

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
CN-118973279-A Solar cell, preparation method thereof, photovoltaic module and photovoltaic system 天合光能股份有限公司 2024-11-15 CN disclosed
CN-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN disclosed
US-20210161907-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING UNIVERSITY OF NORTH DAKOTA 2021-06-03 US disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-2666481-B9 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2019-05-22 EP disclosed
EP-2666481-B9 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2019-05-22 EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed
US-4168151-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-09-18 US disclosed
US-4153443-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-05-08 US disclosed
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4133673-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4123251-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4049422-A Herbicidal morpholinobenzimidazoles UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1977-09-20 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 (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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 ALDH1A1 3613/4885LMNA 3793/4885KDM4E 761/4885
US-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 ALDH1A1 1393/4885LMNA 4279/4885KDM4E 3264/4885
US-20210161907-A1 USE OF SMALL MOLECULE FAK ACTIVATORS TO PROMOTE MUCOSAL HEALING PTK2, CTTN, TNK2 ALDH1A1 3526/4885LMNA 3916/4885KDM4E 3883/4885

“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.