SCHEMBL4834106

SCHEMBL4834106

Cc1csc(Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 4/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4831350 0.82 HDAC1 (0.50) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1836543 0.79 POLB (0.46) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL1847507 0.79 POLB (0.43) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL27612995 0.78 HDAC1 (0.50) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4831153 0.78 RAB9A (0.71) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL10668105 0.77 POLB (0.59) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4834152 0.77 HDAC1 (0.50) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL13680613 0.76 RAB9A (0.59) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL4834573 0.76 RAB9A (0.51) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4825899 0.76 POLB (0.49) ALDH1A1KDM4EPOLBRAB9ANPC1

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 2652/4885KDM4E 4406/4885POLB 3700/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885KDM4E 4406/4885POLB 3700/4885

“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.