SCHEMBL4473422

SCHEMBL4473422

CCOc1ccc2c(=O)c3c(CC)cccc3sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.39
PSMB8 P28062 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL6875166 0.87 TDP1 (0.47) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL4473461 0.85 TDP1 (0.56) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL4484085 0.82 MAPT (0.57) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL166480 0.78 MAPT (0.51) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL28077174 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL13367156 0.73 ELANE (0.39) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL274964 0.73 KDM4E (0.70) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL13338885 0.73 MAOB (0.39) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL6864771 0.72 MAPT (0.52) ALDH1A1MAPTTDP1KDM4ENPC1
SCHEMBL13338844 0.71 KDM4E (0.55) ALDH1A1MAPTTDP1KDM4ENPC1

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-7511064-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2009-03-31 US disclosed
US-20060183905-A1 DERIVATIVES OF 4-(THIO-OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA BIOSCIENCE GMBH (DE) 2006-08-17 US disclosed
US-7060711-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2006-06-13 US disclosed
EP-1438307-B1 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA PHARMACEUTICALS GM (DE) 2005-08-03 EP disclosed
EP-1438307-A2 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST Biofrontera Pharmaceuticals GmbH (DE) 2004-07-21 EP disclosed
US-20030166672-A1 Derivatives of 4-(Thio- or Selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2003-09-04 US disclosed
EP-1306376-A1 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist Biofrontera Pharmaceuticals AG (DE) 2003-05-02 EP disclosed
WO-2003035646-A2 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA PHARMACEUTICALS GMBH (DE) 2003-05-01 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 (2 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-20030166672-A1 Derivatives of 4-(Thio- or Selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist HTR2B, HTR1B, HTR3B ALDH1A1 547/4885MAPT 3324/4885HSD17B10 1575/4885
US-20060183905-A1 DERIVATIVES OF 4-(THIO-OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST HTR2B, HTR1B, HTR3B ALDH1A1 547/4885MAPT 3324/4885HSD17B10 1575/4885

“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.