Sugi Predict

Sugi Predict / Compounds / SCHEMBL9748208

SCHEMBL9748208

SCHEMBL9748208

O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ VCAM1 P19320 1/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ AR P10275 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TTR P02766 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL10078548 0.83 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30153092 0.81 ALDH1A1 (0.45) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29449838 0.81 TDP1 (0.49) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29449833 0.81 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3294774 0.81 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL23581870 0.81 ALDH1A1 (0.43) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3291265 0.81 TDP1 (0.49) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL5547507 0.81 ALDH1A1 (0.40) TDP1ATMALDH1A1HIF1AAR
SCHEMBL29701221 0.81 ALDH1A1 (0.40) TDP1ATMALDH1A1HIF1AAR
SCHEMBL27903845 0.81 HSD17B10 (0.41) TDP1ATMALDH1A1HIF1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 — — US disclosed
US-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 — — US disclosed
CN-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 — — CN disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 — — US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 — — US disclosed
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 — — EP disclosed
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 — — CN disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
WO-2017144517-A1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-08-31 — — WO disclosed
WO-2017089453-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-01 — — WO disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 — — WO disclosed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 — — US disclosed
US-4952601-A Fungicidal 3-cyano-4-phenyl-pyrrole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 — — US disclosed
EP-0315869-A2 3-Cyano-4-(2,4-difluor-3-phenyl)-pyrrole BAYER AG (DE) 1989-05-17 — — EP disclosed
EP-0315863-A2 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1989-05-17 — — 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 (4 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 TDP1 3316/4885ATM 2334/4885ALDH1A1 784/4885
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 TDP1 2645/4885ATM 124/4885ALDH1A1 996/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TDP1 1583/4885ATM 2620/4885ALDH1A1 1436/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 TDP1 1798/4885ATM 42/4885ALDH1A1 1813/4885

“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.