SCHEMBL1007651

SCHEMBL1007651

N=C(NO)c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.56
ALDH1A1 P00352 2/20 0.53
PBRM1 Q86U86 1/20 0.53
ATM Q13315 1/20 0.53
NR4A2 P43354 2/20 0.53
CREBBP Q92793 1/20 0.53
MAPK1 P28482 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.46
ADAM17 P78536 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 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
SCHEMBL31411210 0.78 GPR84 (0.67) GPR84ALDH1A1PBRM1ATMNR4A2
SCHEMBL7421464 0.77 ALDH1A1 (0.67) GPR84ALDH1A1PBRM1ATMNR4A2
SCHEMBL21246198 0.77 PBRM1 (0.67) GPR84ALDH1A1PBRM1ATMNR4A2
SCHEMBL178109 0.76 AHR (0.48) MAPK1HDAC1HDAC2HDAC3HDAC4
Iodide SCHEMBL22804555 0.76 GPR84 (0.58) GPR84ALDH1A1PBRM1ATMNR4A2
Hydrochloric Acid SCHEMBL22804563 0.76 ALDH1A1 (0.65) GPR84ALDH1A1PBRM1ATMNR4A2
SCHEMBL5894417 0.75 RAB9A (0.69) GPR84NPC1RAB9AKMT2AMEN1
SCHEMBL1007114 0.75 MAP2K1 (0.58) GPR84KMT2AHDAC1HDAC6
Iodide SCHEMBL22804553 0.74 GPR84 (0.56) GPR84ALDH1A1PBRM1ATMNR4A2
SCHEMBL22634878 0.73 MEN1 (0.71) GPR84ALDH1A1PBRM1ATMNR4A2

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 21 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-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 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-10100022-B2 Sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-10-16 US disclosed
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-19 US disclosed
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-19 US disclosed
WO-2017172989-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS THORPE STEVEN BRANDON (US) 2017-10-05 WO disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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 (10 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 GPR84 2143/4885ALDH1A1 2346/4885PBRM1 2283/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GPR84 2143/4885ALDH1A1 2346/4885PBRM1 2283/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 GPR84 1150/4885ALDH1A1 2308/4885PBRM1 3767/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT GPR84 3381/4885ALDH1A1 1077/4885PBRM1 2772/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 GPR84 2143/4885ALDH1A1 2346/4885PBRM1 2283/4885
US-20170298032-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR2 GPR84 1150/4885ALDH1A1 2308/4885PBRM1 3767/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR GPR84 169/4885ALDH1A1 1086/4885PBRM1 712/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 GPR84 86/4885ALDH1A1 614/4885PBRM1 762/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT GPR84 3343/4885ALDH1A1 1238/4885PBRM1 2430/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 GPR84 2143/4885ALDH1A1 2346/4885PBRM1 2283/4885

“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.