SCHEMBL2898396

SCHEMBL2898396

Cc1nnc(-c2ccc(Br)cc2F)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TSHR P16473 2/20 0.40
PTGER1 P34995 1/20 0.39
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL27007671 0.88 NPC1 (0.44) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL7820612 0.83 SMN1; SMN2 (0.49) NOTUMSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16573949 0.83 NOTUM (0.45) NOTUMSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL26206906 0.83 NOTUM (0.45) NOTUMSMN1; SMN2NPC1RAB9APTGER1
SCHEMBL1187141 0.80 ESR1 (0.47) NOTUMESR1ESR2
SCHEMBL21939245 0.80 NOTUM (0.43) NOTUMSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL27007889 0.80 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL22530360 0.80 CNR2 (0.35) SMN1; SMN2NPC1RAB9ATSHRNMUR2
SCHEMBL27007812 0.78 NPC1 (0.36) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL23997030 0.78 NOTUM (0.41) NOTUMSMN1; SMN2NPC1RAB9ATSHR

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
EP-2822956-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-01-14 EP disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
WO-2013134415-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 WO disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 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 (2 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-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD NOTUM 1839/4885SMN1; SMN2 3845/4885NPC1 3916/4885
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 NOTUM 2014/4885SMN1; SMN2 3742/4885NPC1 685/4885

“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.