SCHEMBL7040124

SCHEMBL7040124

COc1ccc2[nH]c(C)c(CC(=O)[C@](N)(Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(C(c4ccc(NC(=O)[C@@](N)(Cc5c[nH]c6ccccc56)C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)c4ccc(NC(=O)[C@@](N)(Cc5c[nH]c6ccccc56)C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.44
HDAC1 Q13547 7/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GPR84 Q9NQS5 1/20 0.41
MAPT P10636 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL6290352 0.91 MAPT (0.41) MEN1KMT2AMAPTTDP1HTT
SCHEMBL7034720 0.85 AKR1C2 (0.52) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6284089 0.83 AKR1C2 (0.50) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6287524 0.82 AKR1C2 (0.48) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6287787 0.81 L3MBTL1 (0.44) MEN1KMT2AMAPTTDP1HTT
SCHEMBL7040125 0.81 HDAC1 (0.58) HDAC1MAPTHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL7039786 0.81 AKR1C2 (0.47) AKR1C2HDAC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6282711 0.81 AKR1C2 (0.47) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6290892 0.79 AKR1C2 (0.46) AKR1C2HDAC1MEN1KMT2AMAPT
SCHEMBL6290445 0.79 MTNR1A (0.52) AKR1C2HDAC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AKR1C2 2816/4885HDAC1 3488/4885MEN1 111/4885

“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.