SCHEMBL622032

SCHEMBL622032

CCC(=O)COc1ccc2nccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
POLB P06746 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
PLA2G4B P0C869 4/20 0.41
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
AHR P35869 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
SCHEMBL621664 0.81 SLC22A12 (0.54) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL622328 0.80 KDM4E (0.47) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL27689432 0.79 MAPT (0.50) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL621960 0.77 KMT2A (0.58) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL17645416 0.74 MCL1 (0.40) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL622641 0.74 FGFR1 (0.48) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL25144684 0.73 PLA2G4B (0.68) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL27501325 0.73 ALDH1A1 (0.51) MAPTPOLBKMT2AMEN1RAB9A
SCHEMBL19658290 0.72 PLA2G4B (0.51) RAB9ASMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL19002727 0.72 PLA2G4B (0.55) MAPTPOLBKMT2AMEN1RAB9A

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 MAPT 4872/4885POLB 3109/4885KMT2A 3611/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAPT 4699/4885POLB 2563/4885KMT2A 3261/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAPT 4699/4885POLB 2563/4885KMT2A 3261/4885

“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.