SCHEMBL4834533

SCHEMBL4834533

O=[N+]([O-])c1ccc(CCc2nnco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KCNJ1 P48048 6/20 0.44
KCNH2 Q12809 6/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
POLB P06746 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL4836703 0.86 POLB (0.51) TSHRLOXL2POLBKMT2ANPC1
SCHEMBL3292782 0.77 TSHR (0.75) TSHRKCNJ1KCNH2LOXL2POLB
SCHEMBL4829113 0.76 MAPT (0.55) POLBCYP19A1KMT2ANPC1MAPT
SCHEMBL4831448 0.75 GFER (0.52) TSHRLOXL2CYP19A1NPC1RAB9A
SCHEMBL18462192 0.74 CES1 (0.50) KCNH2LOXL2NPC1RAB9AALDH1A1
SCHEMBL4826108 0.74 NPC1 (0.48) TSHRKCNJ1KCNH2LOXL2POLB
SCHEMBL18913824 0.73 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2POLB
SCHEMBL8094543 0.72 POLB (0.68) TSHRKCNJ1KCNH2LOXL2POLB
SCHEMBL6632472 0.71 POLB (0.79) TSHRKCNJ1KCNH2LOXL2POLB
SCHEMBL369276 0.70 NOTUM (0.55) NPC1RAB9AALDH1A1MAPT

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885KCNJ1 440/4885KCNH2 237/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885KCNJ1 440/4885KCNH2 237/4885

“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.