SCHEMBL2016441

SCHEMBL2016441

COc1ccc2ncc3c(c2c1)CC(=O)CS3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
SRC P12931 2/20 0.37
EGFR P00533 2/20 0.37
HPGD P15428 2/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL12630209 0.75 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2013241 0.74 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17928609 0.72 CYP1A2 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14249026 0.71 NCF1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2013271 0.71 LMNA (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9834398 0.70 MAOA (0.50) MAOAMAOBLMNAKDM4EHTT
SCHEMBL14314433 0.70 NCF1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2014624 0.67 MAPT (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9098426 0.67 ACHE (0.51) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13865282 0.64 POLB (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 2408/4885GABRG2 3098/4885GABRB3 3169/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 GABRA1 3802/4885GABRG2 4043/4885GABRB3 4081/4885

“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.