SCHEMBL2012319

SCHEMBL2012319

COc1ccc2ncc3c(c2c1)CC(C(=O)O)CO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
LMNA P02545 4/20 0.43
KDM4E B2RXH2 5/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
CLK1 P49759 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTNR1B P49286 2/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2016810 0.87 MTNR1A (0.42) MTNR1ALMNAKDM4ENPSR1MAPK1
SCHEMBL12544774 0.82 KMT2A (0.46) MTNR1ALMNAKDM4ENPSR1ALDH1A1
SCHEMBL12544776 0.82 KMT2A (0.46) MTNR1ALMNAKDM4ENPSR1ALDH1A1
SCHEMBL12630208 0.82 ALDH1A1 (0.43) MTNR1ALMNAKDM4ENPSR1ALDH1A1
SCHEMBL15305097 0.82 ALDH1A1 (0.43) MTNR1ALMNAKDM4ENPSR1ALDH1A1
SCHEMBL7202817 0.81 MTNR1A (0.66) MTNR1ALMNATP53
SCHEMBL15954931 0.80 MTNR1A (0.45) MTNR1AKDM4ENPSR1ALDH1A1MAPT
SCHEMBL15954930 0.80 MTNR1A (0.45) MTNR1AKDM4ENPSR1ALDH1A1MAPT
SCHEMBL17928601 0.79 MTNR1A (0.47) MTNR1AKDM4ENPSR1ALDH1A1MAPT
SCHEMBL14250228 0.78 MTNR1A (0.46) MTNR1AKDM4ENPSR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 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 (2 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S MTNR1A 158/4885LMNA 4019/4885KDM4E 3896/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 MTNR1A 2325/4885LMNA 3459/4885KDM4E 2900/4885

“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.