Sugi Predict

Sugi Predict / Compounds / SCHEMBL645032

SCHEMBL645032

SCHEMBL645032

O=[N+]([O-])c1ccc2[c]cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PTPRC P08575 3/20 0.39
▸ S100A4 P26447 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CES1 P23141 1/20 0.39

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
SCHEMBL643631 0.86 TSHR (0.45) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL248259 0.78 TSHR (0.49) TSHRLMNAALDH1A1TDP1POLB
SCHEMBL8528988 0.75 TSHR (0.42) TSHRLMNAALDH1A1TDP1POLB
SCHEMBL57616 0.72 LMNA (0.56) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL29929890 0.72 LMNA (0.56) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL16290034 0.71 TSHR (0.45) TSHRLMNAALDH1A1TDP1POLB
SCHEMBL28122579 0.71 TSHR (0.59) TSHRLMNAALDH1A1TDP1POLB
SCHEMBL31677837 0.71 LMNA (0.54) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL5167846 0.71 LMNA (0.54) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL2760792 0.71 LMNA (0.54) TSHRLMNAALDH1A1TDP1MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318920-A Method for preparing para orientation o-aminophenyl-thioether via midbody para orientation o-nitrobenzene-sulfhydrate BEIJING CHARNA CHEMICALS LTD (CN) 2008-12-10 — — CN claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 — — US claimed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 — — CN disclosed
CN-107311889-B Compound and method for producing same 东京应化工业株式会社 2022-01-14 — — CN disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 — — EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 — — US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 — — US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 — — EP disclosed
CN-106572659-A Noxious arthropod control agent containing amide compound 住友化学株式会社 2017-04-19 — — CN disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 — — CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 — — US disclosed
EP-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 — — EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 — — WO disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 — — EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 — — WO disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 — — WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
US-4304922-A REDOX SYSTEMS COMPRISING A UREA, AN ALCOHOL, CARBON MONOXIDE, OXYGEN, A REDUCIBLE METAL SALT, AND A CATALYTIC GROUP 8 METAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1981-12-08 — — US disclosed
EP-0016949-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1981-10-14 — — EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 — — 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 (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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TSHR 4282/4885LMNA 2775/4885ALDH1A1 1571/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 TSHR 2151/4885LMNA 3750/4885ALDH1A1 2079/4885

“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.