SCHEMBL4834491

SCHEMBL4834491

O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTK2 Q05397 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4834228 0.78 SORT1 (0.45) NOTUMPOLBNPC1RAB9AALDH1A1
SCHEMBL7316095 0.73 NOTUM (1.00) NOTUMMAPTMEN1KMT2A
SCHEMBL44366 0.72 POLB (0.76) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8094050 0.72 POLB (0.76) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8087428 0.72 POLB (0.76) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4833237 0.71 ALDH1A1 (0.49) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL1460734 0.71 MEN1 (0.72) POLBMAPTSMN1; SMN2KDM4EPTK2
SCHEMBL4836703 0.69 POLB (0.51) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL15658983 0.69 POLB (0.56) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL4836274 0.69 ALDH1A1 (0.47) POLBNPC1RAB9AALDH1A1MAPT

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 NOTUM 3015/4885POLB 3700/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NOTUM 3015/4885POLB 3700/4885NPC1 1170/4885

“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.