SCHEMBL163398

SCHEMBL163398

O=C=Nc1ccc(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.36
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CCR2 P41597 1/20 0.32
KMO O15229 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL29574363 1.00 TDP1 (0.38) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL1569005 0.86 TDP1 (0.39) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL10316536 0.81 TDP1 (0.42) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL30111366 0.81 TDP1 (0.42) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL6596126 0.80 HTR2B (0.33) TDP1CYP3A4HPGDALDH1A1KMT2A
SCHEMBL30298623 0.80 HTR2B (0.33) TDP1CYP3A4HPGDALDH1A1KMT2A
SCHEMBL29862788 0.79 TDP1 (0.45) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL76596 0.79 ALDH1A1 (0.40) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL29533142 0.79 ALDH1A1 (0.40) TDP1MAPK1CYP3A4HPGDALDH1A1
SCHEMBL227614 0.79 TDP1 (0.45) TDP1MAPK1CYP3A4HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57058672-A None JP disclosed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-11-19 US disclosed
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 CN disclosed
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-112867539-B Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-08-06 CN disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
WO-1987003873-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1987-07-02 WO disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
US-4564639-A INSECTICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-14 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
EP-0088343-B1 UREA DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-07-03 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US disclosed
EP-0088343-A2 Urea derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-09-14 EP disclosed
JP-S5758672-A SUBSTITUTED PHENYLHYDANTION DERIVATIVE, ITS PREPARATION, AND HERBICIDE COMPRISING IT AS ACTIVE IN GREDIENT SUMITOMO CHEM CO LTD 1982-04-08 JP disclosed
US-4220465-A PREEMERGENCE OR POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-02 US disclosed
US-4179276-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-12-18 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 (2 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-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TDP1 1045/4885MAPK1 1947/4885CYP3A4 570/4885
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TDP1 1033/4885MAPK1 1737/4885CYP3A4 506/4885

“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.