SCHEMBL5584151

SCHEMBL5584151

Cc1noc(-c2cc3c(O)cccc3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CA2 P00918 1/20 0.39
S1PR1 P21453 1/20 0.39
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36
ADORA2A P29274 2/20 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
SCHEMBL5584128 0.76 DYRK3 (0.43) CA2MAPTPDK2BACE1NPC1
SCHEMBL5585138 0.75 CA2 (0.39) CA2MAPTKMT2AMEN1NPC1
SCHEMBL5585075 0.73 ALDH1A1 (0.43) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL5584352 0.70 F2RL3 (0.42) RARARARBRARGTP53MAPT
SCHEMBL11973132 0.68 CA2 (0.46) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL17866234 0.68 CA2 (0.53) CA2MAPTKMT2AMEN1GAA
SCHEMBL14842292 0.67 CASP3 (0.68) TP53MAPTPDK2KMT2AMEN1
SCHEMBL3961533 0.67 CA2 (0.37) CA2PDK2
SCHEMBL8504221 0.67 KDM4E (0.43) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL5953007 0.66 S1PR1 (0.51) HDAC4HDAC1HDAC6HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HDAC4 1013/4885HDAC1 388/4885HDAC6 1335/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HDAC4 1013/4885HDAC1 388/4885HDAC6 1335/4885

“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.