SCHEMBL6287905

SCHEMBL6287905

C[C@](NC(=O)Cc1c[nH]c2ccccc12)(C(=O)Nc1ccc(C(OC(=O)C(F)(F)F)(c2ccc(NC(=O)[C@](C)(NC(=O)Cc3c[nH]c4ccccc34)c3ccccn3)cc2)c2ccc(NC(=O)[C@](C)(NC(=O)Cc3c[nH]c4ccccc34)c3ccccn3)cc2)cc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.45
NMBR P28336 2/20 0.43
GRPR P30550 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GOT1 P17174 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
GLA P06280 1/20 0.41
HDAC1 Q13547 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6287370 0.90 ANO1 (0.46) ANO1NMBRGRPRALDH1A1MAPT
SCHEMBL6356129 0.86 KLK6 (0.41) NMBRGRPRALDH1A1MAPTPOLB
SCHEMBL6290375 0.85 HRH3 (0.46) ANO1ALDH1A1MAPTPOLBMEN1
SCHEMBL6288012 0.84 ALDH1A1 (0.43) ANO1NMBRGRPRALDH1A1MAPT
SCHEMBL6286578 0.80 RORC (0.39) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL6290397 0.78 HDAC1 (0.43) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL6287930 0.72 LMNA (0.46) MAPTHTTGOT1HDAC1
SCHEMBL7036792 0.72 HRH3 (0.51) ANO1ALDH1A1MAPTPOLBKMT2A
SCHEMBL6290843 0.71 LMNA (0.46) MAPTHTTGOT1HDAC1
SCHEMBL7037700 0.71 MAPT (0.49) ANO1ALDH1A1MAPTMEN1GAA

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 ANO1 1520/4885NMBR 656/4885GRPR 323/4885

“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.