SCHEMBL12811429

SCHEMBL12811429

O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.36
▸ ATM Q13315 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 6/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ PKM P14618 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 5/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTGES O14684 1/20 0.31

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
SCHEMBL12811624 0.95 CTSB (0.36) CTSBATMTDP1MAPTPDE4A
SCHEMBL12811684 0.86 CTSB (0.43) CTSBTDP1MAPTPDE4DKDM4E
SCHEMBL16997296 0.84 CTSB (0.40) CTSBATMTDP1MAPTPDE4A
SCHEMBL12811422 0.83 TUBB4A (0.40) TDP1MAPTKDM4EL3MBTL1PKM
SCHEMBL12811693 0.83 CTSB (0.42) CTSBTDP1MAPTPDE4DKDM4E
SCHEMBL14039053 0.81 MAPT (0.36) CTSBATMTDP1MAPTPDE4A
SCHEMBL12811246 0.80 TUBB4A (0.39) TDP1MAPTKDM4EL3MBTL1PKM
SCHEMBL16441956 0.80 CTSB (0.45) CTSBATMTDP1MAPTPDE4A
SCHEMBL31373351 0.80 CTSB (0.45) CTSBATMTDP1MAPTPDE4A
SCHEMBL25963468 0.77 CTSB (0.45) CTSBATMTDP1MAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — EP 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 CTSB 2954/4885ATM 3103/4885TDP1 1682/4885

“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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