SCHEMBL4535120

SCHEMBL4535120

COc1ccc2ccccc2c1C(=O)C(C)Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CTSD P07339 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCEH1 Q6PIU2 3/20 0.46
CNR2 P34972 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL10546979 1.00 MAPT (0.49) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL6637449 1.00 MAPT (0.49) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL4837230 0.86 KDM4E (0.51) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL10543594 0.85 MAPT (0.49) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL4828429 0.81 MAPT (0.45) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL28006247 0.81 MAPT (0.55) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL23499947 0.80 CNR2 (0.59) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL30676839 0.79 NCEH1 (0.65) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL979842 0.79 CA12 (0.58) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL3357585 0.79 NCEH1 (0.65) MAPTKDM4EHTTALDH1A1HPGD

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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 (3 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B MAPT 2855/4885KDM4E 2758/4885HTT 752/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B MAPT 4679/4885KDM4E 3337/4885HTT 750/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C MAPT 4439/4885KDM4E 2095/4885HTT 781/4885

“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.