SCHEMBL2013271

SCHEMBL2013271

COc1ccc2ncc3c(c2c1)C=C(C(=O)O)CS3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MTNR1B P49286 2/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL2014624 0.86 MAPT (0.47) LMNAKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2014811 0.77 LMNA (0.47) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL3186332 0.73 MAOA (0.42) LMNAKDM4E
SCHEMBL2016441 0.71 GABRA1 (0.41) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL6148137 0.68 LMNA (0.65) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL2011169 0.68 LMNA (0.57) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL2313075 0.67 LMNA (0.56) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL2946850 0.67 LMNA (0.63) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL436681 0.67 LMNA (0.63) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL5746157 0.67 LMNA (0.63) LMNAKDM4EMAPK1NPSR1ALDH1A1

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 3896/4885MAPK1 2115/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 LMNA 3459/4885KDM4E 2900/4885MAPK1 3582/4885

“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.