Sugi Predict

Sugi Predict / Compounds / SCHEMBL26014231

SCHEMBL26014231

SCHEMBL26014231

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1cccc(Br)c1C2(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADORA1 P30542 1/20 0.36
▸ EIF4E P06730 3/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PDE7A Q13946 3/20 0.34
▸ PDE7B Q9NP56 2/20 0.33
▸ S100A4 P26447 2/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRB2 P47870 1/20 0.33

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
SCHEMBL26014248 0.84 ALDH1A1 (0.42) ALDH1A1TDP1ADORA1EIF4EPTPN1
SCHEMBL26014229 0.82 ALDH1A1 (0.44) ALDH1A1TDP1ADORA1EIF4EPTPN1
SCHEMBL26014250 0.82 ALDH1A1 (0.45) ALDH1A1TDP1ADORA1EIF4EPTPN1
SCHEMBL2618787 0.77 ALDH1A1 (0.53) ALDH1A1TDP1ADORA1EIF4EADAMTS4
SCHEMBL26014232 0.76 ALDH1A1 (0.49) ALDH1A1TDP1ADORA1EIF4EPTPN1
SCHEMBL20327396 0.76 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1SMN1; SMN2
SCHEMBL20327765 0.76 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1EIF4EPTPN1
SCHEMBL16800913 0.75 ALDH1A1 (0.62) ALDH1A1TDP1ADORA1PTPN1S100A4
SCHEMBL24730442 0.75 OPRM1 (0.36) ALDH1A1TDP1PTPRCSMN1; SMN2
SCHEMBL26014240 0.75 ALDH1A1 (0.54) ALDH1A1TDP1EIF4ES100A4ADAMTS4

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
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 — — 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 (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-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC ALDH1A1 641/4885TDP1 3544/4885ADORA1 4361/4885
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF OCIAD1, OCIAD2, EPCAM ALDH1A1 657/4885TDP1 2811/4885ADORA1 3279/4885

“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.