SCHEMBL17280261

SCHEMBL17280261

O=C(Oc1ccccc1)Oc1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.59
MTOR P42345 1/20 0.59
ADK P55263 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PARP1 P09874 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42

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
SCHEMBL5151126 0.82 NISCH (0.69) NISCHMTORADKKDM4EALDH1A1
SCHEMBL9536541 0.81 KDM4E (0.60) NISCHMTORADKKDM4EALDH1A1
Oxalic Acid SCHEMBL31679098 0.77 KDM4E (0.63) NISCHMTORADKKDM4EALDH1A1
SCHEMBL6005085 0.76 ALDH1A1 (0.73) NISCHMTORADKKDM4EALDH1A1
SCHEMBL5148367 0.76 NISCH (0.91) NISCHMTORADKKDM4EALDH1A1
2-Phenylimidazole SCHEMBL9719773 0.76 NISCH (1.00) NISCHMTORADKKDM4EALDH1A1
SCHEMBL21790492 0.76 KMT2A (0.50) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
2-Phenylimidazole SCHEMBL8901 0.76 NISCH (1.00) NISCHMTORADKKDM4EALDH1A1
2-Phenylimidazole SCHEMBL8898735 0.74 NISCH (0.95) NISCHMTORADKKDM4EALDH1A1
2-Phenylimidazole SCHEMBL1954238 0.74 NISCH (0.95) NISCHMTORADKKDM4EALDH1A1

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-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS NISCH 69/4885MTOR 1593/4885ADK 3475/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 NISCH 74/4885MTOR 2570/4885ADK 3893/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 NISCH 873/4885MTOR 3327/4885ADK 2589/4885

“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.