SCHEMBL4573268

SCHEMBL4573268

CC(C)(CO)NC(=O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 2/20 0.49
CNR2 P34972 8/20 0.39
CNR1 P21554 7/20 0.39
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL621869 0.81 POLB (0.71) NPC1RAB9AATMPOLBCNR2
SCHEMBL744546 0.81 LMNA (0.46) POLBKMT2AHTT
SCHEMBL6023280 0.80 NPC1 (0.54) NPC1RAB9AATMPOLBCNR2
SCHEMBL706443 0.80 HDAC1 (0.58) NPC1RAB9AATMPOLB
SCHEMBL10123127 0.80 RAB9A (0.54) NPC1RAB9AATMPOLBCNR2
SCHEMBL9307990 0.79 KDM4E (0.53) NPC1RAB9AATMPOLBCNR2
SCHEMBL3750397 0.79 POLB (0.54) NPC1RAB9AATMPOLBCNR2
SCHEMBL4240834 0.79 OGG1 (0.53) NPC1RAB9AATMPOLBKMT2A
SCHEMBL3757683 0.79 NPC1 (0.52) NPC1RAB9AATMPOLBCNR2
SCHEMBL11074386 0.79 NPC1 (0.52) NPC1RAB9AATMPOLBKMT2A

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
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2008-09-11 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2008-09-11 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
EP-1743886-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-17 EP disclosed
US-20060063793-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2006-03-23 US disclosed
US-20030203923-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-10-30 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 (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-20060063793-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF NPC1 3769/4885RAB9A 3720/4885ATM 4577/4885
US-20030203923-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF NPC1 4064/4885RAB9A 4136/4885ATM 4660/4885
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF NPC1 3769/4885RAB9A 3720/4885ATM 4577/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP NPC1 2244/4885RAB9A 2543/4885ATM 4620/4885

“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.