SCHEMBL19982233

SCHEMBL19982233

O=[N+]([O-])c1nc[nH]c1/C=C/c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
NFE2L2 Q16236 7/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
APP P05067 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GRM4 Q14833 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL10102686 0.83 TAAR1 (0.60) FBP1NFE2L2POLBMEN1KMT2A
SCHEMBL22929137 0.79 MAOA (0.44) POLBMEN1KMT2AMAPTTDP1
SCHEMBL19982086 0.76 TAAR1 (0.51) FBP1NFE2L2POLBMEN1KMT2A
SCHEMBL19982190 0.75 EGFR (0.46) FBP1POLBMEN1GFERKMT2A
SCHEMBL19982272 0.75 TAAR1 (0.43) POLBMEN1KMT2AMAPTTDP1
SCHEMBL22929156 0.72 MEN1 (0.53) POLBMEN1KMT2AMAPTTDP1
SCHEMBL19982293 0.72 TAAR1 (0.41) FBP1NFE2L2POLBMEN1KMT2A
SCHEMBL19982297 0.72 FBP1 (0.50) FBP1POLBMEN1KMT2AMAPT
SCHEMBL3365445 0.71 CYP19A1 (0.73) FBP1NFE2L2MAPTAPPPTGS1
SCHEMBL3365440 0.71 CYP19A1 (0.73) FBP1NFE2L2MAPTAPPPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-05-06 US disclosed
US-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-02-02 US disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 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 (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-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 FBP1 2055/4885NFE2L2 986/4885POLB 3210/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC FBP1 1745/4885NFE2L2 1085/4885POLB 4304/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC FBP1 1669/4885NFE2L2 1235/4885POLB 4349/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC FBP1 1745/4885NFE2L2 1085/4885POLB 4304/4885

“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.