SCHEMBL9501864

SCHEMBL9501864

CNc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GALR2 O43603 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44

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
SCHEMBL19737438 0.90 ALDH1A1 (0.55) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL19737473 0.87 ALDH1A1 (0.49) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL15426478 0.87 ALDH1A1 (0.49) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL9500151 0.87 TSHR (0.58) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL15868319 0.87 ALDH1A1 (0.49) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL3305172 0.83 MAPT (0.51) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL30613334 0.83 MAPT (0.51) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL27319132 0.81 GPR35 (0.55) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL3284881 0.81 LMNA (0.44) GPR35ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL30628745 0.78 LMNA (0.46) GPR35ALDH1A1MAPTL3MBTL1TDP1

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-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed
US-4675445-A Process for elimination N-nitrosamines from N-nitrosamine-containing compositions BASF CORPORATION (US) 1987-06-23 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 GPR35 758/4885ALDH1A1 3178/4885MAPT 4670/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 GPR35 742/4885ALDH1A1 3047/4885MAPT 4635/4885

“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.