SCHEMBL2204384

SCHEMBL2204384

COc1cccc2sc(C(O)[C@H]3CC[C@H](N)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.46
DYRK1A Q13627 1/20 0.43
RAB9A P51151 4/20 0.40
PPARG P37231 2/20 0.40
TSHR P16473 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 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
SCHEMBL2204389 1.00 TDP1 (0.49) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL2207723 0.78 DYRK1A (0.42) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL2207717 0.78 DYRK1A (0.42) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL2203301 0.75 TDP1 (0.54) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL2203307 0.75 TDP1 (0.54) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL13340895 0.73 ALDH1A1 (0.61) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL28191911 0.70 ALDH1A1 (0.60) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL6172529 0.68 ALDH1A1 (0.58) TDP1CYP3A4MAPTKDM4EMEN1
SCHEMBL9535465 0.68 HPGD (0.57) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL624781 0.67 TDP1 (1.00) TDP1CYP3A4MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US disclosed
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 TDP1 4508/4885CYP3A4 517/4885MAPT 4688/4885

“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.