SCHEMBL4554958

SCHEMBL4554958

O=[N+]([O-])c1ccc(Cl)cc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PRKDC P78527 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ PDE7A Q13946 3/20 0.38
▸ PDE7B Q9NP56 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL4554339 0.90 PARP14 (0.42) PARP14ALOX5MAPK1TSHRPRKDC
SCHEMBL4554345 0.85 PARP14 (0.49) PARP14ALOX5PRKDCMAPTMEN1
SCHEMBL15582877 0.85 PARP14 (0.42) PARP14ALOX5PRKDCMAPTMEN1
SCHEMBL8815910 0.85 PARP14 (0.42) PARP14ALOX5PRKDCCYP19A1PIK3CD
SCHEMBL25561346 0.82 MAPK1 (0.56) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL15582884 0.81 ALDH1A1 (0.40) PARP14ALOX5PRKDCMAPTMEN1
SCHEMBL16919494 0.79 PARP14 (0.43) PARP14ALOX5PRKDCMAPTMEN1
SCHEMBL24030376 0.78 ALDH1A1 (0.53) MAPK1TSHRKDM4EMAPTMEN1
SCHEMBL15318799 0.78 PARP14 (0.38) PARP14ALOX5PRKDCKDM4EMAPT
SCHEMBL14653418 0.77 PARP14 (0.42) PARP14ALOX5MAPK1PRKDCMAPT

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-9246107-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display device including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2016-01-26 — — US disclosed
US-9246107-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display device including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2016-01-26 — — US disclosed
EP-2450975-B1 Compound for organic optoelectronic device and organic light emitting diode including the same CHEIL IND INC (KR) 2014-01-08 — — EP disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
EP-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 — — 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-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, OCIAD1, OCIAD2 PARP14 4799/4885ALOX5 380/4885MAPK1 486/4885

“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.

Send feedback