SCHEMBL2207953

SCHEMBL2207953

COc1ccc2sc(C(=O)C3CCC(NC(C4=CC=CCC4)C4=COC=CO4)CC3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DYRK1A Q13627 9/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
PPARA Q07869 4/20 0.33
TP53 P04637 3/20 0.33
PKM P14618 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGDS O60760 1/20 0.31
POLB P06746 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
SCHEMBL2205421 0.94 MAOA (0.41) MAOAMAOBDYRK1ANPC1RAB9A
SCHEMBL2208553 0.87 CNR1 (0.36) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2205340 0.83 TP53 (0.33) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL622081 0.78
SCHEMBL620702 0.74 HPGDS (0.35) HPGDS
SCHEMBL5652112 0.73 IRAK4 (0.34) ALDH1A1ALOX15MAPK1
SCHEMBL5653235 0.72 KCNH2 (0.35)
SCHEMBL5261664 0.72 KCNH2 (0.39) ALDH1A1
SCHEMBL622101 0.72 KCNH2 (0.35) HPGDS
SCHEMBL5650298 0.69 MTNR1A (0.38)

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
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
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

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 MAOA 2201/4885MAOB 1079/4885DYRK1A 3362/4885

“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.