SCHEMBL18185064

SCHEMBL18185064

CCOCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSPB1 P04792 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
GPR35 Q9HC97 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FBP1 P09467 1/20 0.35

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
SCHEMBL18185021 0.88 ALDH1A1 (0.40) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185019 0.84 TDP1 (0.44) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18184993 0.83 TSHR (0.51) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18184995 0.83 TDP1 (0.47) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL3959736 0.82 TDP1 (0.48) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185045 0.81 LMNA (0.46) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185065 0.81 TDP1 (0.42) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185028 0.80 TDP1 (0.41) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185067 0.80 ALDH1A1 (0.56) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18185008 0.80 MAPT (0.42) TDP1ALDH1A1LMNAMAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
EP-3088382-A1 METHOD FOR PRODUCING NITRO COMPOUND Sumitomo Chemical Company Limited (JP) 2016-11-02 EP 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 (1 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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 TDP1 3246/4885ALDH1A1 2305/4885LMNA 3465/4885

“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.