SCHEMBL4050337

SCHEMBL4050337

CC(Cc1nc2ncc(Br)cc2[nH]1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK10 P53779 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL4053712 0.85 NOS3 (0.52) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL13607880 0.80 ALPL (0.38) ALDH1A1MAPK10SMN1; SMN2HTTTDP1
SCHEMBL4059836 0.78 NOS3 (0.41) ALDH1A1MAPK10NOS3NOS1NOS2
SCHEMBL4060448 0.77 ALDH1A1 (0.58) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL4051158 0.76 ALDH1A1 (0.57) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL4053960 0.75 SMN1; SMN2 (0.75) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL4055037 0.74 TDP1 (0.65) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL4057108 0.73 NOS3 (0.54) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL856556 0.73 ALDH1A1 (0.57) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA
SCHEMBL4052709 0.73 ALDH1A1 (0.54) ALDH1A1MAPK10SMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B ALDH1A1 3683/4885MAPK10 30/4885SMN1; SMN2 4289/4885

“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.