SCHEMBL622367

SCHEMBL622367

COc1ccc2ncc(OCCN3CCC(NC(=O)c4cc(-c5cccs5)on4)CC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
RAB9A P51151 8/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
LMNA P02545 5/20 0.50
NPC1 O15118 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
ESR1 P03372 1/20 0.46
TSHR P16473 2/20 0.46
HPGDS O60760 3/20 0.42
HTR7 P34969 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL621132 0.88 RAB9A (0.51) ACKR3RAB9AKMT2AMEN1LMNA
SCHEMBL622193 0.87 MEN1 (0.49) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL621759 0.87 RAB9A (0.49) ACKR3RAB9AKMT2AMEN1LMNA
SCHEMBL622206 0.77 PIK3CA (0.45) HPGDS
SCHEMBL622377 0.76 HPGDS (0.40) HPGDSHTR7
SCHEMBL4287780 0.74 RAB9A (0.77) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL619958 0.73 KCNH2 (0.42) KMT2AMEN1LMNA
SCHEMBL15662900 0.73 LTA4H (0.49) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL620405 0.73 HPGD (0.47) RAB9AKMT2AMEN1LMNANPC1
SCHEMBL622368 0.73 FGFR3 (0.49) KMT2AMEN1ESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 ACKR3 1181/4885RAB9A 3837/4885KMT2A 3611/4885

“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.