SCHEMBL11050883

SCHEMBL11050883

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2Br)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.57
S100A4 P26447 2/20 0.57
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MCL1 Q07820 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CES1 P23141 1/20 0.50
POLB P06746 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL27985956 0.85 POLB (0.58) PTPRCS100A4ALDH1A1TDP1MAPT
SCHEMBL30317899 0.84 PTPRC (0.54) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL3277269 0.84 PTPRC (0.54) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL7741732 0.82 PTPRC (0.63) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL19026574 0.82 PTPRC (0.44) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL31463570 0.82 CYP19A1 (0.52) PTPRCS100A4CYP3A4MAPTPOLB
SCHEMBL19886591 0.81 TXNRD1 (0.53) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL18117635 0.80 TSHR (0.47) PTPRCS100A4ALDH1A1TDP1TSHR
SCHEMBL1181388 0.80 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL31219515 0.80 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4MAPTTSHR

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
US-20170186962-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS Shanghai Tianma AM-OLED Co., Ltd. 2017-06-29 US disclosed
US-20170186962-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS Shanghai Tianma AM-OLED Co., Ltd. 2017-06-29 US disclosed
US-4461888-A OPTICAL FILTERS POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4461886-A AROMATIC POLYAMIDES CONTAINING HALO, NITRO OR UNSATURATED SUBSTITUENTS; FILMS; FIBERS POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4384107-A MOLECULAR ORIENTATION POLAROID CORPORATION (US) 1983-05-17 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 (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-20170186962-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS H1-10, OR10J3, H1-0 PTPRC 3570/4885S100A4 215/4885ALDH1A1 2257/4885

“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.