SCHEMBL19982296

SCHEMBL19982296

O=[N+]([O-])c1nc[nH]c1/C=C/c1ccc(-c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MAPT P10636 6/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GPR35 Q9HC97 1/20 0.36
SNCA P37840 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19982086 0.86 TAAR1 (0.51) TAAR1MAPTNPC1RAB9AKMT2A
SCHEMBL10102686 0.83 TAAR1 (0.60) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL19982190 0.78 EGFR (0.46) TAAR1CA12CA1CA2CA9
SCHEMBL19982272 0.78 TAAR1 (0.43) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL22929137 0.76 MAOA (0.44) TLR4TLR2TAAR1MAPTNPC1
SCHEMBL22929156 0.74 MEN1 (0.53) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL19982293 0.74 TAAR1 (0.41) TAAR1MAPTNPC1RAB9AKMT2A
SCHEMBL19982297 0.74 FBP1 (0.50) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL13017261 0.72 KDM4E (0.50) TLR4TLR2CA12CA1CA2
SCHEMBL22929138 0.72 TAAR1 (0.39) TAAR1MAPTNPC1RAB9AALDH1A1

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 TLR4 4348/4885TLR2 4712/4885TAAR1 4645/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TLR4 4131/4885TLR2 4687/4885TAAR1 4175/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TLR4 3994/4885TLR2 4624/4885TAAR1 4052/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC TLR4 4131/4885TLR2 4687/4885TAAR1 4175/4885

“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.