SCHEMBL2014811

SCHEMBL2014811

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPK1 P28482 1/20 0.43
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
CLK1 P49759 1/20 0.40
CYP1A2 P05177 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
MAOB P27338 1/20 0.39
SHMT2 P34897 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GABRA1 P14867 1/20 0.38

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
SCHEMBL7199599 0.81 PTGS1 (0.47) KDM4EALOX5ALDH1A1HPGDPOLB
SCHEMBL2011172 0.78 SRC (0.44) LMNAKDM4ENPSR1ALDH1A1HTT
SCHEMBL2013271 0.77 LMNA (0.47) LMNAKDM4ENPSR1MAPK1ALDH1A1
SCHEMBL3198679 0.73 MAOB (0.64) ALOX5ALDH1A1HTTMAPTNR1H4
SCHEMBL432850 0.73 ALOX5 (0.71) KDM4EALOX5ALDH1A1HTTMAPT
SCHEMBL2013241 0.71 GABRA1 (0.41) LMNAKDM4ENPSR1MAPK1ALOX5
SCHEMBL2012319 0.69 MTNR1A (0.45) LMNAKDM4ENPSR1MAPK1ALDH1A1
SCHEMBL14250582 0.69 KCNH2 (0.38)
SCHEMBL7204770 0.68 MTNR1A (0.50) KDM4EALOX5ALDH1A1HPGDHSD17B10
SCHEMBL2011169 0.68 LMNA (0.57) LMNAKDM4ENPSR1MAPK1ALDH1A1

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 LMNA 4019/4885KDM4E 3896/4885NPSR1 237/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 LMNA 3459/4885KDM4E 2900/4885NPSR1 3039/4885

“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.