SCHEMBL4055882

SCHEMBL4055882

Brc1cnc2nc(C=Cc3ccccc3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 5/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSP90AA1 P07900 1/20 0.51
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48

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
SCHEMBL4055881 1.00 MAPT (0.62) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4055724 0.87 NPC1 (0.55) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4055727 0.87 NPC1 (0.55) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4056642 0.83 NPC1 (0.51) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4056638 0.83 NPC1 (0.51) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL13607768 0.77 TUBB4A (0.54) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4060105 0.77 NPC1 (0.45) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4060113 0.77 NPC1 (0.45) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4059729 0.76 NPC1 (0.44) MAPTATMSMN1; SMN2NPC1KMT2A
SCHEMBL4059720 0.76 NPC1 (0.44) MAPTATMSMN1; SMN2NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B MAPT 4026/4885ATM 431/4885SMN1; SMN2 4289/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK MAPT 1896/4885ATM 3855/4885SMN1; SMN2 4145/4885

“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.