SCHEMBL4836595

SCHEMBL4836595

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
ENPP1 P22413 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
CYP2C19 P33261 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL1824004 0.83 ALDH1A1 (0.49) POLBMAPTALDH1A1ENPP1ACHE
SCHEMBL4825750 0.82 POLB (0.46) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL12531825 0.79 POLB (0.46) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL11353069 0.78 MAPT (0.47) POLBMAPTALDH1A1ACHEHSD17B10
SCHEMBL4001673 0.78 LMNA (0.54) MAPTNPC1CA12CA1CA2
SCHEMBL4001669 0.78 CTSB (0.44) POLBMAPTALDH1A1RAB9ATP53
SCHEMBL2161509 0.76 POLB (0.43) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL24098510 0.76 MAPK1 (0.43) MAPTALDH1A1NPC1RAB9ATSHR
SCHEMBL12075597 0.76 MAPK1 (0.46) MAPTALDH1A1NPC1RAB9ATSHR
SCHEMBL4834082 0.76 TDP1 (0.45) POLBMAPTALDH1A1NPC1RAB9A

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 3700/4885MAPT 3203/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 POLB 3700/4885MAPT 3203/4885ALDH1A1 2652/4885

“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.