SCHEMBL9109998

SCHEMBL9109998

C=Cc1ccc(C(=O)NN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.57
CYP3A4 P08684 2/20 0.57
KDM5A P29375 1/20 0.57
BLM P54132 1/20 0.57
GFER P55789 1/20 0.57
PMP22 Q01453 1/20 0.57
HIF1A Q16665 1/20 0.57
TAS1R3 Q7RTX0 3/20 0.56
TAS1R1 Q7RTX1 3/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
OGG1 O15527 1/20 0.55
LMNA P02545 1/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
Benzoic Acid Hydrazide SCHEMBL28063334 0.86 ALDH1A1 (0.52) MPOCYP3A4KDM5ABLMGFER
SCHEMBL2678949 0.82 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL343630 0.82 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL1151270 0.81 MPO (0.59) MPOCYP3A4KDM5ABLMGFER
SCHEMBL3809792 0.81 HDAC1 (0.62) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL381841 0.80 TAS1R3 (0.53) HIF1ATAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL20966259 0.80 CYP1A2 (0.62) BLMPMP22TAS1R3TAS1R1ALDH1A1
SCHEMBL28188923 0.79 MPO (0.76) MPOCYP3A4KDM5ABLMGFER
SCHEMBL2055312 0.79 TAS1R3 (0.51) CYP3A4TAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL6681528 0.79 HDAC8 (0.57) TAS1R3TAS1R1ALDH1A1KDM4ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 US disclosed
WO-2011019179-A2 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME 광주과학기술원 (KR) 2011-02-17 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 (1 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-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME IPMK, INTS9, ITK MPO 3075/4885CYP3A4 991/4885KDM5A 2354/4885

“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.