SCHEMBL290317

SCHEMBL290317

O=[C]OCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 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
SCHEMBL9869778 0.88 KEAP1 (0.48) ALDH1A1KDM4EKEAP1SMN1; SMN2TSHR
SCHEMBL1998371 0.80 HRH3 (0.39) ALDH1A1TDP1KMT2AMEN1
SCHEMBL15660677 0.78 KDM4E (0.39) GLAALDH1A1KDM4EKEAP1SMN1; SMN2
SCHEMBL7706424 0.78 HRH3 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1TSHR
SCHEMBL5946046 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL14538844 0.76 KDM4E (0.46) GLAALDH1A1KDM4EKEAP1SMN1; SMN2
SCHEMBL9534058 0.75 KDM1A (0.32)
SCHEMBL5540209 0.75 POLB (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL111438 0.75 TSHR (0.58) GLAALDH1A1KDM4EKEAP1SMN1; SMN2
SCHEMBL235080 0.74 KDM4E (0.65) GLAALDH1A1KDM4EKEAP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US claimed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US claimed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US claimed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP claimed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO claimed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US claimed
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0089926-A2 Pharmaceutical preparations of tetracycles containing nitrogen, and compounds of this type CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 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 (6 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR GLA 4611/4885ALDH1A1 1954/4885KDM4E 4720/4885
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO GLA 1215/4885ALDH1A1 334/4885KDM4E 2623/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 GLA 4675/4885ALDH1A1 2749/4885KDM4E 3780/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 GLA 569/4885ALDH1A1 739/4885KDM4E 135/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO GLA 1215/4885ALDH1A1 334/4885KDM4E 2623/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 GLA 4675/4885ALDH1A1 2749/4885KDM4E 3780/4885

“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.