SCHEMBL4825899

SCHEMBL4825899

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4834152 0.82 HDAC1 (0.50) POLBRAB9AMAPTNPC1HDAC1
SCHEMBL5149849 0.82 MAPT (0.57) POLBRAB9AMAPTNPC1HDAC1
Bromide SCHEMBL21382416 0.81 MAPT (0.60) POLBRAB9AMAPTNPC1HDAC1
SCHEMBL12206192 0.79 MEN1 (0.50) RAB9ANPC1GAAALDH1A1
SCHEMBL4000661 0.78 LMNA (0.61) RAB9AMAPTNPC1
SCHEMBL21382353 0.77 RAB9A (0.64) RAB9AMAPTNPC1
SCHEMBL4831350 0.77 HDAC1 (0.50) POLBRAB9AMAPTNPC1HDAC1
SCHEMBL6498881 0.76 MAPT (0.49) RAB9AMAPTNPC1HDAC1HDAC6
SCHEMBL6489114 0.76 SMN1; SMN2 (0.51) RAB9AMAPTGAA
SCHEMBL4834106 0.76 ALDH1A1 (0.50) POLBRAB9AMAPTNPC1HDAC1

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 POLB 3700/4885RAB9A 4059/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 POLB 3700/4885RAB9A 4059/4885MAPT 3203/4885

“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.