SCHEMBL17857763

SCHEMBL17857763

Cc1cc(SCSc2ccc(-c3ccc(C#N)cc3)c(F)c2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ NSD2 O96028 2/20 0.36
▸ RORC P51449 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL16841035 0.92 MAOB (0.43) PDE3BPDE3AMAOAMAOBNSD2
SCHEMBL15613479 0.80 MAOA (0.41) PDE3BPDE3AMAOAMAOBNSD2
SCHEMBL16844047 0.79 PDE3B (0.43) PDE3BPDE3AMAOAMAOBNSD2
SCHEMBL16945915 0.76 KDM1A (0.45) PDE3BPDE3ANSD2CYP11B2KIF11
SCHEMBL16941051 0.76 NSD2 (0.45) PDE3BPDE3AMAOAMAOBNSD2
SCHEMBL16582522 0.74 ESR1 (0.50) —
SCHEMBL19806733 0.74 KDM1A (0.45) PDE3BPDE3AMAOAMAOBNSD2
SCHEMBL91880 0.74 ALDH1A1 (0.52) PDE3BPDE3ANSD2RORCCYP11B2
SCHEMBL16945906 0.73 PTPRC (0.44) PDE3BPDE3ACYP11B2KIF11ALDH1A1
SCHEMBL16844139 0.73 PDE3B (0.42) PDE3BPDE3ANSD2RORCKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 — — US disclosed
WO-2016096082-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 — — WO 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-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 PDE3B 3957/4885PDE3A 4035/4885MAOA 3031/4885

“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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