SCHEMBL621664

SCHEMBL621664

COC(=O)COc1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 4/20 0.47
PTGS2 P35354 1/20 0.47
ACSS2 Q9NR19 1/20 0.46
LMNA P02545 1/20 0.45
STAT1 P42224 1/20 0.44
PDK2 Q15119 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL622328 0.83 KDM4E (0.47) SLC22A12MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL622032 0.81 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL7399938 0.80 SLC22A12 (0.56) SLC22A12SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL2116437 0.78 PTGS2 (0.66) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL19924711 0.78 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4076916 0.75 LMNA (0.62) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL7693991 0.75 PTGS2 (0.58) MAPTKMT2AMEN1POLBTSHR
SCHEMBL27689432 0.75 MAPT (0.50) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL2494979 0.75 ECE2 (0.54) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL28600640 0.75 ALDH1A1 (0.54) MAPTSMN1; SMN2KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 SLC22A12 1046/4885MAPT 4872/4885SMN1; SMN2 3721/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH SLC22A12 1229/4885MAPT 4699/4885SMN1; SMN2 3912/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH SLC22A12 1229/4885MAPT 4699/4885SMN1; SMN2 3912/4885

“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.