SCHEMBL898028

SCHEMBL898028

Nc1nc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 6/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
FGFR4 P22455 1/20 0.35
AR P10275 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL29745233 1.00 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL12776134 0.81 TSHR (0.42) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL31202669 0.79 GPR35 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL8743905 0.79 GPR35 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL432831 0.78 TDP1 (0.46) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL29607172 0.78 TDP1 (0.46) ALDH1A1TDP1TSHRMAPTNPSR1
SCHEMBL29004835 0.78 ALDH1A1 (0.39) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL15221112 0.77 TDP1 (0.42) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL671296 0.76 TDP1 (0.45) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL29391396 0.76 TDP1 (0.45) ALDH1A1TDP1TSHRMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305033-B1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2025-05-07 EP disclosed
US-20240092782-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2024-03-21 US disclosed
EP-4305033-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2024-01-17 EP disclosed
CN-116964055-A Pesticidal tricyclic compounds 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
WO-2022189189-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2022-09-15 WO disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
WO-2003086406-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-10-23 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 (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-20240092782-A1 TRICYCLIC PESTICIDAL COMPOUNDS DDT, ACHE, CYP4X1 ALDH1A1 1635/4885TDP1 1142/4885TSHR 282/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1475/4885TDP1 1134/4885TSHR 1424/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 ALDH1A1 1096/4885TDP1 1594/4885TSHR 4510/4885

“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.