SCHEMBL4473461

SCHEMBL4473461

CCOc1ccc2c(=O)c3c(OC)cccc3sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
RAD52 P43351 2/20 0.48
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 6/20 0.43
MAOB P27338 6/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CSNK1D P48730 1/20 0.41

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 0.92 TDP1 (0.47) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL4473422 0.85 ALDH1A1 (0.42) TDP1NPC1RAB9AKMT2ARAD52
SCHEMBL4495693 0.81 KMT2A (0.48) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL4484085 0.80 MAPT (0.57) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL30925001 0.78 NPC1 (0.70) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL2789108 0.78 NPC1 (0.70) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL3252488 0.77 MAPT (0.54) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL4473495 0.77 TDP1 (0.56) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL13934966 0.75 TDP1 (0.54) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL13367156 0.72 ELANE (0.39) TDP1NPC1RAB9AKMT2AMEN1

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 10 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-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-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP 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 TDP1 2763/4885NPC1 2335/4885RAB9A 1375/4885
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 TDP1 2763/4885NPC1 2335/4885RAB9A 1375/4885

“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.