SCHEMBL4833367

SCHEMBL4833367

Cc1coc(Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.49
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 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
SCHEMBL4833873 0.84 POLB (0.47) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL1818443 0.83 TSHR (0.48) MAPTALDH1A1POLBCYP2C19CYP1A2
SCHEMBL5625170 0.76 ESR1 (0.45) NPC1RAB9AALDH1A1KDM4EPKM
SCHEMBL11558024 0.76 KMT2A (0.45) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL4829432 0.76 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL11453485 0.75 SMN1; SMN2 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4834106 0.73 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL4836703 0.72 POLB (0.51) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL15658983 0.72 POLB (0.56) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL8094050 0.72 POLB (0.76) MAPTALDH1A1POLBCYP2C19CYP1A2

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 7 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
US-4168379-A Pyridin-3-ols BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed
US-4163659-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-08-07 US 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 MAPT 3203/4885NPC1 1170/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885NPC1 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.