SCHEMBL10102686

SCHEMBL10102686

O=[N+]([O-])c1nc[nH]c1/C=C/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
NFE2L2 Q16236 2/20 0.45
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
FBP1 P09467 1/20 0.43
IP6K1 Q92551 3/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP19A1 P11511 1/20 0.37
CYP1B1 Q16678 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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 0.91 TAAR1 (0.51) TAAR1MEN1KMT2APOLBNFE2L2
SCHEMBL19982272 0.85 TAAR1 (0.43) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL19982190 0.85 EGFR (0.46) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL22929137 0.83 MAOA (0.44) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL19982233 0.83 FBP1 (0.51) TAAR1MEN1KMT2APOLBNFE2L2
SCHEMBL19982296 0.83 TLR4 (0.46) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL19982297 0.81 FBP1 (0.50) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL22929156 0.81 MEN1 (0.53) TAAR1MEN1KMT2APOLBMAPT
SCHEMBL19982293 0.81 TAAR1 (0.41) TAAR1MEN1KMT2APOLBNFE2L2
SCHEMBL22929138 0.78 TAAR1 (0.39) TAAR1MEN1KMT2APOLBMAPT

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 13 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
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
WO-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 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 (6 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K TAAR1 174/4885MEN1 3882/4885KMT2A 1235/4885
US-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 TAAR1 4645/4885MEN1 4141/4885KMT2A 1586/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TAAR1 4175/4885MEN1 3702/4885KMT2A 1585/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K TAAR1 159/4885MEN1 3948/4885KMT2A 1810/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC TAAR1 4052/4885MEN1 3614/4885KMT2A 1665/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC TAAR1 4175/4885MEN1 3702/4885KMT2A 1585/4885

“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.