SCHEMBL4531833

SCHEMBL4531833

O=C(O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3ccc(Br)cc23)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.46
PPARG P37231 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ATM Q13315 2/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
PRNP P04156 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.38
NR2E3 Q9Y5X4 1/20 0.37
MEN1 O00255 3/20 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
SCHEMBL2892863 0.86 SMN1; SMN2 (0.40) MAPTALDH1A1HTR3EHTR3BHTR3A
SCHEMBL4541724 0.86 HTR3E (0.37) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2897360 0.82 SMN1; SMN2 (0.40) MAPTALDH1A1HTR3EHTR3BHTR3A
SCHEMBL4556318 0.82 KDM4E (0.55) MAPTALDH1A1HTR3EHTR3BHTR3A
SCHEMBL8248157 0.81 UCHL1 (0.47) RXFP1MAPTALDH1A1
SCHEMBL3502900 0.78 RXFP1 (0.35) RXFP1PPARGNCOR2ATMMAPT
SCHEMBL4406868 0.77 UCHL1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8249835 0.77 UCHL1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14094641 0.77 KDM4E (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4615376 0.76 IRAK4 (0.48) RXFP1ALDH1A1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879607-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
EP-1879607-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-01-23 EP disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 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-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC RXFP1 4217/4885PPARG 3809/4885NCOR2 2230/4885

“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.