SCHEMBL6819876

SCHEMBL6819876

O=C(OCC(F)(F)F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MGLL Q99685 2/20 0.45
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSPB1 P04792 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL21097661 0.88 HTR2A (0.51) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL21097318 0.88 HTR2A (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL5489962 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL21097099 0.85 HTR2A (0.51) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL2597473 0.85 HTR2A (0.56) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL3559196 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL29542782 0.85 HTR2A (0.48) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL29542211 0.84 HTR2A (0.47) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL21097279 0.83 HTR2A (0.49) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL19656360 0.83 HTR2A (0.55) HTR2ABCL9CTNNB1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637441-B2 Prodrugs of the tyrosine kinase inhibitor for treating cancer Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4021912-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-07-06 EP disclosed
US-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-18 US disclosed
WO-2021035360-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-04 WO disclosed
WO-2004002985-A1 PEPTIDIC THROMBIN INHIBITOR COMPOUND LG LIFE SCIENCES LTD. (KR) 2004-01-08 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 (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-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER ABL1, FLT3, SRC HTR2A 4073/4885BCL9 849/4885CTNNB1 3582/4885
US-12637441-B2 Prodrugs of the tyrosine kinase inhibitor for treating cancer EGFR, ERBB2, MET HTR2A 4308/4885BCL9 361/4885CTNNB1 1180/4885

“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.