SCHEMBL4540414

SCHEMBL4540414

C=Cc1ccc2nc(-c3ccccc3)cc(O[C@@H]3C[C@@H](C(=O)O)N(Cl)C3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PLA2G2A P14555 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 2/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL4541724 0.89 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1273673 0.88 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8253556 0.79 UCHL1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12936299 0.79 SMN1; SMN2 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2743609 0.79 GRIK1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16229609 0.76 UCHL1 (0.40)
SCHEMBL2897360 0.76 SMN1; SMN2 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1070891 0.76 MEN1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8257071 0.75 UCHL1 (0.40)
SCHEMBL8257072 0.75 PIM1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 2559/4885HTR3B 2432/4885HTR3A 2595/4885

“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.