SCHEMBL2545546

SCHEMBL2545546

CSc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PDE7A Q13946 12/20 0.58
▸ PDE7B Q9NP56 4/20 0.56
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CCR2 P41597 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE4B Q07343 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ VCAM1 P19320 1/20 0.46

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
SCHEMBL8669659 0.85 PDE7A (0.61) MAPK1TSHRPDE7APDE7BKMT2A
SCHEMBL2777612 0.82 PDE7A (0.55) MAPK1TSHRPDE7APDE7BLMNA
SCHEMBL20150186 0.81 TSHR (0.64) TSHRLMNAKMT2AALDH1A1MAPT
SCHEMBL2847249 0.81 PDE7A (0.57) MAPK1TSHRPDE7APDE7BLMNA
SCHEMBL11150115 0.80 TDP1 (0.62) MAPK1TSHRPDE7APDE7BLMNA
Water SCHEMBL11171597 0.79 TSHR (0.47) MAPK1TSHRPDE7APDE7BLMNA
SCHEMBL4963975 0.79 PDE7A (0.82) MAPK1TSHRPDE7APDE7BLMNA
SCHEMBL2935849 0.78 BACE1 (0.45) MAPK1TSHRKMT2AALDH1A1
SCHEMBL5423544 0.78 PDE7A (0.42) MAPK1TSHRPDE7APDE7BLMNA
SCHEMBL1151368 0.78 ATM (0.58) MAPK1TSHRPDE7AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 — — US claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 — — US claimed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 — — US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 — — US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 — — US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 — — US disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 — — US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 — — WO disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 — — WO disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 — — US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 — — US disclosed
US-4349377-A Phenoxyphenylthioalkanecarboxylic acid amides and their use as herbicides and plant growth regulants CIBA-GEIGY CORPORATION (US) 1982-09-14 — — US disclosed
EP-0000359-B1 PHENOXY-PHENYLSULFINYL-AND-SULFONYLALKANECARBOXYLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS. CIBA-GEIGY AG (CH) 1981-10-21 — — EP disclosed
EP-0000351-A1 Phenoxy-phenyl-thio-alkanecarboxylic acid derivatives method for their preparation and their use as herbicides and plant growth regulators CIBA-GEIGY AG (CH) 1979-01-24 — — 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 (4 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MAPK1 2401/4885TSHR 1021/4885PDE7A 3376/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPK1 1/4885TSHR 1144/4885PDE7A 1532/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MAPK1 2401/4885TSHR 1021/4885PDE7A 3376/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 MAPK1 1/4885TSHR 1216/4885PDE7A 1595/4885

“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.

Send feedback