SCHEMBL4833873

SCHEMBL4833873

CCc1coc(Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
PTK2 Q05397 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4833367 0.84 MAPT (0.51) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL10256756 0.77 CCR3 (0.45) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL17429759 0.76 SMN1; SMN2 (0.39) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL500100 0.76 SMN1; SMN2 (0.39) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL467952 0.74 IDO1 (0.38) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL10915611 0.73 POLB (0.63) POLBMAPTALDH1A1CYP2C19SMN1; SMN2
SCHEMBL8587260 0.73 CCR3 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4825750 0.72 POLB (0.46) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL4831350 0.72 HDAC1 (0.50) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL28828140 0.72 AR (0.42) MAPTRAB9AALDH1A1CYP1A2TSHR

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 3 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

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 3203/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 POLB 3700/4885MAPT 3203/4885NPC1 1170/4885

“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.