SCHEMBL6290445

SCHEMBL6290445

COc1ccc2[nH]c(C)c(CC(=O)[C@](N)(CCCCNC(C)=O)C(=O)Nc3ccc(C(c4ccc(NC(=O)[C@@](N)(CCCCNC(C)=O)C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@@](N)(CCCCNC(C)=O)C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.52
MTNR1B P49286 9/20 0.52
AKR1C2 P52895 1/20 0.45
HDAC1 Q13547 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
NQO2 P16083 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6290892 0.92 AKR1C2 (0.46) MTNR1AMTNR1BAKR1C2HDAC1MEN1
SCHEMBL6286858 0.91 MEN1 (0.42) MTNR1AMTNR1BAKR1C2HDAC1MEN1
SCHEMBL6286746 0.91 MEN1 (0.42) MTNR1AMTNR1BAKR1C2HDAC1MEN1
Hydrochloric Acid SCHEMBL6282711 0.90 AKR1C2 (0.47) MTNR1AMTNR1BAKR1C2HDAC1MEN1
Hydrochloric Acid SCHEMBL7039786 0.90 AKR1C2 (0.47) MTNR1AMTNR1BAKR1C2HDAC1MEN1
SCHEMBL7030590 0.87 MTNR1A (0.41) MTNR1AMTNR1BHDAC1MEN1MAPT
SCHEMBL6287524 0.86 AKR1C2 (0.48) MTNR1AMTNR1BAKR1C2HDAC1MEN1
SCHEMBL7034720 0.86 AKR1C2 (0.52) MTNR1AMTNR1BAKR1C2HDAC1MEN1
Trifluoroacetic Acid SCHEMBL6290277 0.85 AKR1C2 (0.46) MTNR1AMTNR1BAKR1C2HDAC1MEN1
SCHEMBL6284089 0.85 AKR1C2 (0.50) MTNR1AMTNR1BAKR1C2HDAC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK MTNR1A 270/4885MTNR1B 175/4885AKR1C2 2816/4885

“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.