SCHEMBL4554339

SCHEMBL4554339

O=[N+]([O-])c1cc(Cl)ccc1-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
▸ HPGD P15428 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE7A Q13946 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PDE7B Q9NP56 2/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ KIF18A Q8NI77 1/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL4554958 0.90 PARP14 (0.42) PARP14ALOX5HPGDNPC1MAPT
SCHEMBL4554345 0.85 PARP14 (0.49) PARP14ALOX5MAPTPRKDCLMNA
SCHEMBL10043646 0.85 PARP14 (0.42) PARP14ALOX5PRKDCLMNAALDH1A1
SCHEMBL14653418 0.85 PARP14 (0.42) PARP14ALOX5HPGDNPC1MAPT
SCHEMBL14653421 0.84 ALOX5 (0.47) PARP14ALOX5MAPTPRKDCALDH1A1
SCHEMBL25561307 0.82 MAPK1 (0.52) HPGDNPC1MAPTRAB9ANFKB1
SCHEMBL26536408 0.81 ALOX5 (0.45) PARP14ALOX5MAPTPRKDCALDH1A1
SCHEMBL16482513 0.80 PARP14 (0.39) PARP14ALOX5HPGDNPC1MAPT
SCHEMBL17035132 0.78 ALDH1A1 (0.53) HPGDNPC1MAPTRAB9ANFKB1
SCHEMBL26549518 0.77 ALOX5 (0.41) PARP14ALOX5MAPTPRKDCALDH1A1

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 380/4885HPGD 1696/4885

“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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