SCHEMBL18185046

SCHEMBL18185046

CC(C)(C)OCc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 7/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL18184962 0.83 TSHR (0.50) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18184989 0.83 TDP1 (0.44) TDP1ALDH1A1TSHRSMN1; SMN2GPR35
SCHEMBL28715778 0.82 TDP1 (0.44) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18184994 0.82 ALDH1A1 (0.48) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18185007 0.82 TDP1 (0.44) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18185008 0.82 MAPT (0.42) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18185022 0.81 ALDH1A1 (0.54) TDP1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL15329771 0.80 TDP1 (0.37) TDP1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL18185065 0.80 TDP1 (0.42) TDP1ALDH1A1TSHRSMN1; SMN2GPR35
SCHEMBL18185023 0.79 TDP1 (0.41) TDP1ALDH1A1TSHRSMN1; SMN2GPR35

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 5 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
CN-105849082-A Method for producing nitro compound 住友化学株式会社 2016-08-10 CN 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 2305/4885HTT 3783/4885

“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.