SCHEMBL4989679

SCHEMBL4989679

Cc1nc(C)c(CNc2ncccc2[N+](=O)[O-])o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.48
PDE10A Q9Y233 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL8560189 0.84 PKM (0.56) PKMNPC1RAB9AMAPTLMNA
SCHEMBL8560755 0.80 PKM (0.57) PKMNPC1RAB9AMAPTLMNA
SCHEMBL9539135 0.76 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL9304632 0.76 NPC1 (0.56) PKMNPC1RAB9AMAPTLMNA
SCHEMBL4034758 0.75 NPC1 (0.62) PKMNPC1RAB9AMAPTLMNA
SCHEMBL9685901 0.75 PKM (0.57) PKMNPC1RAB9AMAPTLMNA
SCHEMBL5119326 0.74 PDE10A (0.60) PKMNPC1RAB9AMAPTLMNA
SCHEMBL31631301 0.74 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL1738419 0.74 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL6837551 0.74 NPC1 (0.70) PKMNPC1RAB9AMAPTLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 US disclosed
US-7173054-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20060154913-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V (BE) (BE) 2006-07-13 US disclosed
CN-1239496-C Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN disclosed
US-20050239771-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-27 US disclosed
US-20050234047-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-20 US disclosed
US-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 US disclosed
CN-1358180-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196408-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS Janssen Pharmaceutica N.V. (BE) 2002-04-17 EP disclosed
WO-2001000611-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed
CN-1043640-C Oxazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1999-06-16 CN disclosed
EP-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
EP-0539421-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed
CN-1058215-A Novel oxazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1992-01-29 CN 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 (4 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-20060154913-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI PKM 2841/4885NPC1 2728/4885RAB9A 1349/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI PKM 2842/4885NPC1 2725/4885RAB9A 1342/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI PKM 2841/4885NPC1 2728/4885RAB9A 1349/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 PKM 3060/4885NPC1 3084/4885RAB9A 1499/4885

“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.