SCHEMBL4834573

SCHEMBL4834573

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)sc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
POLB P06746 3/20 0.49
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 3/20 0.45
IDO1 P14902 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 1/20 0.42
ENPP1 P22413 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
SCHEMBL5763261 0.77 RAB9A (0.42) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL9457482 0.77 POLB (0.50) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL4834106 0.76 ALDH1A1 (0.50) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL9427047 0.74 ALDH1A1 (0.50) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL4836601 0.72 THRB (0.51) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL8094050 0.72 POLB (0.76) POLBMAPTMEN1KMT2ALMNA
SCHEMBL44366 0.72 POLB (0.76) POLBMAPTMEN1KMT2ALMNA
SCHEMBL8087428 0.72 POLB (0.76) POLBMAPTMEN1KMT2ALMNA
SCHEMBL10919887 0.71 ACHE (0.75) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL5172858 0.71 GAA (0.60) RAB9APOLBMAPTMEN1KMT2A

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