SCHEMBL621759

SCHEMBL621759

COc1ccc2ncc(SCCN3CCC(NC(=O)c4cc(-c5cccs5)on4)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
LMNA P02545 5/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
ESR1 P03372 1/20 0.47
ACKR3 P25106 1/20 0.46
TSHR P16473 2/20 0.44
HPGDS O60760 3/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F10 P00742 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL622367 0.87 ACKR3 (0.51) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL619958 0.87 KCNH2 (0.42) KMT2AMEN1LMNAKCNH2
SCHEMBL621132 0.83 RAB9A (0.51) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL621713 0.78 KCNH2 (0.46) KCNH2
SCHEMBL621755 0.77 HPGDS (0.46) HPGDSDRD4KCNH2
SCHEMBL620713 0.77 PIK3CA (0.43) HPGDS
SCHEMBL620674 0.76 KCNH2 (0.40) HPGDSKCNH2
SCHEMBL621994 0.76 FGFR1 (0.41) ALDH1A1HPGDSDRD2DRD4HSD17B10
SCHEMBL622193 0.75 MEN1 (0.49) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL3707718 0.74 KMT2A (0.47) KMT2AMEN1HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (1 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 RAB9A 3837/4885KMT2A 3611/4885MEN1 907/4885

“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.