SCHEMBL17548767

SCHEMBL17548767

O=[N+]([O-])c1ccccc1-c1cccc2c1sc1cc3c(cc12)c1ccccc1n3-c1ccc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ C1R P00736 1/20 0.32
▸ PMM2 O15305 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ HPRT1 P00492 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16482513 0.79 PARP14 (0.39) MAPTMEN1KMT2ALMNAPDE4A
SCHEMBL21699466 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AF2
SCHEMBL17548771 0.78 PMM2 (0.34) F2PMM2MPIPHOSPHO1
SCHEMBL17548824 0.76 KDM4E (0.38) ALDH1A1MAPTMEN1KMT2AF2
SCHEMBL21914720 0.76 ALOX5 (0.40) ALDH1A1MAPTTDP1
SCHEMBL18505075 0.76 ALOX5 (0.44) F2PMM2MPIPHOSPHO1
SCHEMBL17367034 0.76 PMM2 (0.40) ALDH1A1MAPTF2PMM2MPI
SCHEMBL10014524 0.75 PMM2 (0.42) ALDH1A1MAPTF2PMM2MPI
SCHEMBL18505187 0.74 ALOX5 (0.45) MAPTF2PMM2MPIPHOSPHO1
SCHEMBL19319938 0.74 KDM4E (0.40) F2PMM2MPIPHOSPHO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 — — 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 ALDH1A1 1187/4885MAPT 954/4885MEN1 1271/4885

“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.

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