SCHEMBL19982272

SCHEMBL19982272

O=[N+]([O-])c1nc[nH]c1/C=C/c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
GALK1 P51570 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
GPR183 P32249 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 2/20 0.33
APP P05067 1/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19982190 0.85 EGFR (0.46) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL10102686 0.85 TAAR1 (0.60) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL19982086 0.83 TAAR1 (0.51) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL19982293 0.82 TAAR1 (0.41) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL19982297 0.82 FBP1 (0.50) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL22929156 0.82 MEN1 (0.53) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL22929138 0.79 TAAR1 (0.39) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL22929137 0.78 MAOA (0.44) TAAR1MAPTNPC1RAB9APOLB
SCHEMBL19982298 0.78 PTGS2 (0.48) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL19982296 0.78 TLR4 (0.46) TAAR1MAPTNPC1RAB9APOLB

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 6 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-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 TAAR1 4645/4885MAPT 2858/4885NPC1 4867/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TAAR1 4175/4885MAPT 3748/4885NPC1 4859/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TAAR1 4052/4885MAPT 4012/4885NPC1 4862/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC TAAR1 4175/4885MAPT 3748/4885NPC1 4859/4885

“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.