SCHEMBL2639699

SCHEMBL2639699

O=C(NCCS)c1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PARP1 P09874 1/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
EGLN1 Q9GZT9 7/20 0.52
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PREP P48147 1/20 0.47
KDR P35968 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL2639696 0.85 NPC1 (0.63) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL1365241 0.84 HDAC6 (0.66) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL22750329 0.83 MEN1 (0.60) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL10245917 0.83 TSHR (0.60) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL12308102 0.81 KDM4E (0.50) NPC1RAB9AMEN1KMT2AEGLN1
SCHEMBL29038555 0.81 NPC1 (0.58) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL29038547 0.81 NPC1 (0.58) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL7382937 0.81 EGLN1 (0.74) NPC1RAB9AMEN1KMT2APARP1
Hydrochloric Acid SCHEMBL4062177 0.81 PARP1 (0.59) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL8286975 0.80 EGLN1 (0.43) NPC1RAB9AMEN1KMT2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A NPC1 133/4885RAB9A 766/4885MEN1 1793/4885

“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.