SCHEMBL1037652

SCHEMBL1037652

CCOC(=O)Cc1c(Cl)cnc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
MAOB P27338 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PRNP P04156 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1039002 0.76 NMT2 (0.44) NMT2NMT1ALDH1A1PRNPTDP1
SCHEMBL30900720 0.75 NMT2 (0.60) NMT2NMT1ALDH1A1NPSR1MAPT
SCHEMBL538191 0.75 NMT2 (0.60) NMT2NMT1ALDH1A1NPSR1MAPT
SCHEMBL1993736 0.74 ALDH1A1 (0.48) MAOBALDH1A1PRNPTDP1NPSR1
SCHEMBL3801839 0.72 HTT (0.46) ALDH1A1NPSR1MAPTKDM4EL3MBTL1
SCHEMBL538115 0.71 NMT1 (0.61) NMT2NMT1ALDH1A1NPSR1MAPT
SCHEMBL1029227 0.71 KMT2A (0.40) ALDH1A1PRNPTDP1NPSR1MAPT
SCHEMBL6538281 0.71 CHEK1 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL1992679 0.70 MEN1 (0.43) MAOBALDH1A1PRNPTDP1NPSR1
SCHEMBL22395756 0.70 NMT2 (0.60) NMT2NMT1ALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012961-B2 Tricyclic antibiotics ACTELION PHARMACEUTICAL LTD. (CH) 2011-09-06 US disclosed
US-20110039836-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US disclosed
EP-2276766-A1 TRICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-01-26 EP disclosed
WO-2009128019-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-22 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-20110039836-A1 TRICYCLIC ANTIBIOTICS OPRM1, UBE2D3, METTL3 NMT2 974/4885NMT1 1762/4885MAOB 152/4885

“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.