SCHEMBL4426535

SCHEMBL4426535

Cc1cc(OC(F)F)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.41
S100B P04271 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
POLB P06746 1/20 0.37

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
Hydrochloric Acid SCHEMBL29492790 0.98 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL24869826 0.86 CYP3A4 (0.43) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29502984 0.84 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL18702751 0.84 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL16756041 0.82 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL2142119 0.81 TDP1 (0.55) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL5951484 0.81 NR4A1 (0.56) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29373010 0.81 NR4A1 (0.56) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL5733721 0.80 SMN1; SMN2 (0.43) ALDH1A1TDP1TSHRLMNAMAPT
SCHEMBL1981296 0.80 ALOX15 (0.42) ALDH1A1CYP3A4TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362369-B1 None US disclosed
EP-4694980-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS INHIBITORS OF NLRP3 Takeda Pharmaceutical Company Limited (JP) 2026-02-18 EP disclosed
CN-119192200-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2024-12-27 CN disclosed
WO-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 WO disclosed
WO-2024214046-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS INHIBITORS OF NLRP3 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-17 WO disclosed
US-20240150277-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-05-09 US disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
US-6559341-B2 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 2003-05-06 US disclosed
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides AIR MOTION TECHNOLOGIES, LLC 2003-03-20 US disclosed
US-6362369-B2 CONTROLLING INSECTS IN CROPS NIHON NOHYAKU CO., LTD. (JP) 2002-03-26 US disclosed
US-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 2001-11-15 US disclosed
EP-0919542-A2 Phthalic acid diamide derivatives, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 1999-06-02 EP disclosed
EP-0411200-B1 Oxazoline compounds and herbicides containing the same SDS BIOTECH CORP (JP) 1994-04-13 EP disclosed
EP-0411200-A1 Oxazoline compounds and herbicides containing the same SDS BIOTECH K.K. (JP) 1991-02-06 EP disclosed
US-4973351-A 4-PHENYLAMINO-3-OXAZOLIN-5-ONE SDS BIOTECH KABUSHIKI KAISHA (JP) 1990-11-27 US disclosed
US-4623378-A HYBRIIZATION OF PLANTS CIBA-GEIGY CORPORATION (US) 1986-11-18 US disclosed
EP-0136974-A2 Pyridazinylcarboxylic acid derivatives having a gametocide activity CIBA-GEIGY AG (CH) 1985-04-10 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 (7 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-20240150277-A1 Covalent PPARG inverse-agonists PPARG, PPARD, PPARA ALDH1A1 1224/4885TDP1 3700/4885CYP3A4 672/4885
US-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES DDT, AFF1, BCL2L2 ALDH1A1 252/4885TDP1 888/4885CYP3A4 2718/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B ALDH1A1 3102/4885TDP1 829/4885CYP3A4 2550/4885
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides DDT, BCL2A1, BCL2L2 ALDH1A1 269/4885TDP1 846/4885CYP3A4 2858/4885
US-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885TDP1 83/4885CYP3A4 4278/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP ALDH1A1 1620/4885TDP1 78/4885CYP3A4 1178/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 ALDH1A1 2196/4885TDP1 297/4885CYP3A4 2010/4885

“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.