SCHEMBL16841035

SCHEMBL16841035

N#Cc1ccc(-c2ccc(SCSc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.43
▸ MAOA P21397 8/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ KIF11 P52732 2/20 0.40
▸ RORC P51449 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL17857763 0.92 PDE3B (0.38) MAOBMAOAPDE3BPDE3AKIF11
SCHEMBL15613479 0.87 MAOA (0.41) MAOBMAOAPDE3BPDE3AKIF11
SCHEMBL16844047 0.83 PDE3B (0.43) MAOBMAOAPDE3BPDE3AKIF11
SCHEMBL16844140 0.79 PDE3B (0.43) MAOBMAOAPDE3BPDE3AKIF11
SCHEMBL16841030 0.79 RORC (0.43) MAOBMAOAPDE3BPDE3AKIF11
SCHEMBL397141 0.78 KIF11 (0.61) PDE3BPDE3AKIF11RORCPTGS1
SCHEMBL27806612 0.78 KIF11 (0.51) PDE3BPDE3AKIF11RORCPTGS1
SCHEMBL16841034 0.77 MAOB (0.53) MAOBMAOAKIF11MMP3
SCHEMBL16844139 0.77 PDE3B (0.42) PDE3BPDE3AKIF11RORCNSD2
SCHEMBL15613721 0.76 PDE3B (0.40) MAOBMAOAPDE3BPDE3AKIF11

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019179962-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-26 — — WO disclosed
EP-3218446-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-07-04 — — EP disclosed
US-9914876-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2018-03-13 — — US disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20170369780-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-12-28 — — US disclosed
US-20170369784-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-12-28 — — US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 — — US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 — — US disclosed
WO-2017194665-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 — — WO disclosed
US-20170002268-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-01-05 — — US disclosed
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-06 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 — — US disclosed
WO-2016096082-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 — — WO disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 — — US disclosed
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media MERCK PATENT GMBH (DE) 2015-06-25 — — 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 (10 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 MAOB 535/4885MAOA 919/4885PDE3B 1993/4885
US-20170369780-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, MTX2, MIF MAOB 779/4885MAOA 1221/4885PDE3B 2678/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAOB 3274/4885MAOA 4013/4885PDE3B 4695/4885
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media SP1, FOXM1, S100A11 MAOB 3274/4885MAOA 4013/4885PDE3B 4695/4885
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAOB 3274/4885MAOA 4013/4885PDE3B 4695/4885
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAOB 3267/4885MAOA 3928/4885PDE3B 4686/4885
US-20170369784-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 MAOB 2561/4885MAOA 3031/4885PDE3B 3957/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 MAOB 2561/4885MAOA 3031/4885PDE3B 3957/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAOB 3274/4885MAOA 4013/4885PDE3B 4695/4885
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAOB 3274/4885MAOA 4013/4885PDE3B 4695/4885

“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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