SCHEMBL16773259

SCHEMBL16773259

Cc1ccc2c(c1)N(c1ccc(-c3ccccc3)cc1)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
BCHE P06276 6/20 0.40
MAOA P21397 1/20 0.40
NOX1 Q9Y5S8 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GFER P55789 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
APP P05067 1/20 0.36
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MARK4 Q96L34 1/20 0.35

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
SCHEMBL16773498 0.91 HDAC6 (0.43) HDAC6BCHEMAOANOX1L3MBTL1
SCHEMBL11978698 0.91 HDAC6 (0.44) HDAC6BCHEMAOANOX1LMNA
SCHEMBL23555415 0.88 HDAC6 (0.50) HDAC6BCHEMAOANOX1KMT2A
SCHEMBL12433655 0.86 NPC1 (0.40) HDAC6BCHEMAOALMNAMAPT
SCHEMBL4243905 0.86 HDAC6 (0.54) HDAC6BCHEMAOANOX1LMNA
SCHEMBL30436360 0.86 HDAC6 (0.54) HDAC6BCHEMAOANOX1LMNA
SCHEMBL19785013 0.82 BCHE (0.42) HDAC6BCHEMAOANOX1LMNA
SCHEMBL8183708 0.82 HDAC6 (0.54) HDAC6BCHEMAOANOX1MGLL
SCHEMBL29617992 0.82 HDAC6 (0.54) HDAC6BCHEMAOANOX1MGLL
SCHEMBL15470447 0.82 HDAC6 (0.57) HDAC6BCHEMAOANOX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10446759-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2019-10-15 US disclosed
EP-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-9799833-B2 Phenanthrene compounds for organic electronic devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 US disclosed
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-04 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-10446759-B2 Phenanthrene compounds for organic electronic devices PAH, CYP1A1, AHR HDAC6 4672/4885BCHE 735/4885MAOA 422/4885
US-20150155491-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR HDAC6 4672/4885BCHE 735/4885MAOA 422/4885
US-20180102479-A1 PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES PAH, CYP1A1, AHR HDAC6 4672/4885BCHE 735/4885MAOA 422/4885

“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.