SCHEMBL4836274

SCHEMBL4836274

CCn1nc(Cc2ccc([N+](=O)[O-])cc2)oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
PTK2 Q05397 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PTGS2 P35354 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 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
SCHEMBL4833237 0.83 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPTPTK2
SCHEMBL4836722 0.80 SMN1; SMN2 (0.40) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL4833712 0.70 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMAPTPTK2
SCHEMBL4825713 0.69 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPTPTK2
SCHEMBL4834491 0.69 NOTUM (0.57) ALDH1A1NPC1RAB9AMAPTPTK2
SCHEMBL15059815 0.69 MAPT (0.47) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL4836703 0.68 POLB (0.51) ALDH1A1NPC1RAB9AMAPTPTK2
SCHEMBL44366 0.68 POLB (0.76) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL8094050 0.68 POLB (0.76) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL8087428 0.68 POLB (0.76) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9

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 ALDH1A1 2652/4885NPC1 1170/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885NPC1 1170/4885RAB9A 4059/4885

“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.