SCHEMBL22868258

SCHEMBL22868258

Nc1cc([N+](=O)[O-])c(Cl)nc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
MAPT P10636 6/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 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
SCHEMBL29532347 1.00 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL28415561 0.85 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL24251659 0.80 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4EMEN1
SCHEMBL28973011 0.78 CYP1A2 (0.44) ALDH1A1CYP3A4MAPTMEN1THRB
SCHEMBL28347645 0.77 AR (0.35)
SCHEMBL17490379 0.77 NPSR1 (0.46) ALDH1A1HPGDMAPTMEN1HSP90AA1
SCHEMBL31289142 0.77 MERTK (0.41) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL17490467 0.76 HCRTR1 (0.35) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL29532057 0.76 HCRTR1 (0.35) ALDH1A1ALOX15TSHRTDP1CYP3A4
SCHEMBL28500092 0.74 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998268-B1 COMPOUND FOR INHIBITING EGFR KINASE AND PREPARATION METHOD AND USE THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2024-12-18 EP disclosed
US-11993598-B2 Compounds for inhibiting EGFR kinase, preparation methods and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-05-28 US disclosed
CN-112638897-B EGFR kinase inhibitor and preparation method and application thereof 上海艾力斯医药科技股份有限公司 2024-03-01 CN disclosed
CN-114026090-B Compound for inhibiting EGFR kinase and preparation method and application thereof 微境生物医药科技(上海)有限公司 2023-01-06 CN disclosed
EP-3998268-A1 COMPOUND FOR INHIBITING EGFR KINASE AND PREPARATION METHOD AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2022-05-18 EP disclosed
EP-3998268-A1 COMPOUND FOR INHIBITING EGFR KINASE AND PREPARATION METHOD AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2022-05-18 EP disclosed
CN-114026090-A Compound for inhibiting EGFR kinase and preparation method and application thereof 微境生物医药科技(上海)有限公司 2022-02-08 CN disclosed
US-20210230161-A1 COMPOUNDS FOR INHIBITING EGFR KINASE, PREPARATION METHODS AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-07-29 US disclosed
US-20210230161-A1 COMPOUNDS FOR INHIBITING EGFR KINASE, PREPARATION METHODS AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-07-29 US disclosed
WO-2021000912-A1 COMPOUND FOR INHIBITING EGFR KINASE AND PREPARATION METHOD AND USE THEREOF 微境生物医药科技(上海)有限公司 2021-01-07 WO disclosed
CN-112174961-A Compound for inhibiting EGFR kinase and preparation method and application thereof 微境生物医药科技(上海)有限公司 2021-01-05 CN 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-20210230161-A1 COMPOUNDS FOR INHIBITING EGFR KINASE, PREPARATION METHODS AND USES THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 3389/4885ALOX15 4165/4885TSHR 1698/4885
US-11993598-B2 Compounds for inhibiting EGFR kinase, preparation methods and uses thereof EGFR, ERBB2, ERBB4 ALDH1A1 3389/4885ALOX15 4165/4885TSHR 1698/4885

“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.