SCHEMBL178109

SCHEMBL178109

N=C(NO)c1cccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
DHPS P49366 2/20 0.43
MAPK1 P28482 1/20 0.42
PIK3CD O00329 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40

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
SCHEMBL1014725 0.78 PARP1 (0.53)
SCHEMBL16466013 0.78 MAPK1 (0.49) AHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL1007651 0.76 GPR84 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2134129 0.76 PIK3C3 (0.39) AHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL27967926 0.74 TUBB4A (0.49) AHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL4522317 0.74 TUBB4A (0.49) AHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL45030 0.74 NR4A2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30430559 0.74 NR4A2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7500420 0.72 HDAC1 (0.48) AHRHDAC1HDAC2HDAC3HDAC4
SCHEMBL1995385 0.72 NOS1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 US disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-10100022-B2 Sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-10-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
CN-101611033-A Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO 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 (9 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 AHR 2763/4885HDAC1 1189/4885HDAC2 650/4885
US-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 AHR 2411/4885HDAC1 2260/4885HDAC2 2825/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 AHR 3116/4885HDAC1 2635/4885HDAC2 3048/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 AHR 2763/4885HDAC1 1189/4885HDAC2 650/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 AHR 2636/4885HDAC1 1387/4885HDAC2 753/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 AHR 2763/4885HDAC1 1189/4885HDAC2 650/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 AHR 829/4885HDAC1 2035/4885HDAC2 2816/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 AHR 2763/4885HDAC1 1189/4885HDAC2 650/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 AHR 3213/4885HDAC1 2580/4885HDAC2 2930/4885

“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.